4-[(E,3Z)-3-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)hex-1-enyl]benzoic acid

Systemtic Name: 4-[(E,3Z)-3-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)hex-1-enyl]benzoic acid Openeye Name: 4-[(E,3Z)-3-(4-oxo-2-thioxo-thiazolidin-5-ylidene)hex-1-enyl]benzoic acid CAS Name: 4-[(E,3Z)-3-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)hex-1-enyl]benzoic acid IUPAC Name: 4-[(E,3Z)-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)hex-1-enyl]benzoic acid Traditional Name: 4-[(E,3Z)-3-(4-keto-2-thioxo-thiazolidin-5-ylidene)hex-1-enyl]benzoic acid Formula: C16H15NO3S2 MolecularWeight: 333.4252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)NC(=S)S1)C=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC/C(=C/1\C(=O)NC(=S)S1)/C=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H15NO3S2/c1-2-3-11(13-14(18)17-16(21)22-13)7-4-10-5-8-12(9-6-10)15(19)20/h4-9H,2-3H2,1H3,(H,19,20)(H,17,18,21)/b7-4+,13-11-