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

Systemtic Name: [2-methoxy-4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-methoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C21H16BrNO4S2 MolecularWeight: 490.39004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H16BrNO4S2/c1-3-9-23-19(24)18(29-21(23)28)11-13-7-8-16(17(10-13)26-2)27-20(25)14-5-4-6-15(22)12-14/h3-8,10-12H,1,9H2,2H3