4-{(Z)-[2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene]methyl}benzenolate (Q27458943)

CID57484478 (English)

19 October 2016

chemical formula

C₁₆H₁₅N₂O₄S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CSCCC(=O)C1=NC(=CC2=CC=C(C=C2)[O-])C(=O)N1CC=O

1 reference

CID57484478 (English)

19 October 2016

isomeric SMILES

CSCCC(=O)C1=N/C(=C/C2=CC=C(C=C2)[O-])/C(=O)N1CC=O

1 reference

CID57484478 (English)

InChI=1S/C16H16N2O4S/c1-23-9-6-14(21)15-17-13(16(22)18(15)7-8-19)10-11-2-4-12(20)5-3-11/h2-5,8,10,20H,6-7,9H2,1H3/p-1/b13-10+

19 October 2016

Identifiers

InChI

1 reference

CID57484478 (English)

POPNGBKQPJVYFV-JLHYYAGUSA-M

19 October 2016

InChIKey

1 reference

CID57484478 (English)

19 October 2016

1 reference

4-({2-[3-(Methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl)phenolate (English)

19 October 2016

2 references

CID57484478 (English)

matched by identifier from

19 October 2016

InChIKey

POPNGBKQPJVYFV-JLHYYAGUSA-M

1 reference

1 reference

matched by identifier from

InChIKey

POPNGBKQPJVYFV-JLHYYAGUSA-M

0 references

0 references

1 reference

1XMZ (English)

19 October 2016

1 reference

3U0K (English)