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

Systemtic Name: 4-[(E,3Z)-3-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)non-1-enyl]benzoic acid Openeye Name: 4-[(E,3Z)-3-(4-oxo-2-thioxo-thiazolidin-5-ylidene)non-1-enyl]benzoic acid CAS Name: 4-[(E,3Z)-3-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)non-1-enyl]benzoic acid IUPAC Name: 4-[(E,3Z)-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)non-1-enyl]benzoic acid Traditional Name: 4-[(E,3Z)-3-(4-keto-2-thioxo-thiazolidin-5-ylidene)non-1-enyl]benzoic acid Formula: C19H21NO3S2 MolecularWeight: 375.50494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S2/c1-2-3-4-5-6-14(16-17(21)20-19(24)25-16)10-7-13-8-11-15(12-9-13)18(22)23/h7-12H,2-6H2,1H3,(H,22,23)(H,20,21,24)/b10-7+,16-14-