4-[(5-oxidanylidene-2-prop-2-enylsulfanyl-1,3-thiazol-4-ylidene)methyl]benzoic acid

Systemtic Name: 4-[(5-oxidanylidene-2-prop-2-enylsulfanyl-1,3-thiazol-4-ylidene)methyl]benzoic acid Openeye Name: 4-[(2-allylsulfanyl-5-oxo-thiazol-4-ylidene)methyl]benzoic acid CAS Name: 4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]benzoic acid IUPAC Name: 4-[(5-oxo-2-prop-2-enylsulfanyl-1,3-thiazol-4-ylidene)methyl]benzoic acid Traditional Name: 4-[[2-(allylthio)-5-keto-2-thiazolin-4-ylidene]methyl]benzoic acid Formula: C14H11NO3S2 MolecularWeight: 305.37204

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=CC2=CC=C(C=C2)C(=O)O)C(=O)S1

Isomeric SMILES

C=CCSC1=NC(=CC2=CC=C(C=C2)C(=O)O)C(=O)S1

InChI

InChI=1S/C14H11NO3S2/c1-2-7-19-14-15-11(13(18)20-14)8-9-3-5-10(6-4-9)12(16)17/h2-6,8H,1,7H2,(H,16,17)