[4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methoxybenzoate

Systemtic Name: [4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methoxybenzoate Openeye Name: [4-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C21H17NO4S2 MolecularWeight: 411.49398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CC=C

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CC=C

InChI

InChI=1S/C21H17NO4S2/c1-3-11-22-19(23)18(28-21(22)27)12-14-7-9-16(10-8-14)26-20(24)15-5-4-6-17(13-15)25-2/h3-10,12-13H,1,11H2,2H3