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

Systemtic Name: [2-methoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [2-methoxy-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-methoxy-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C18H12BrNO4S2 MolecularWeight: 450.32618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrNO4S2/c1-23-14-7-10(8-15-16(21)20-18(25)26-15)5-6-13(14)24-17(22)11-3-2-4-12(19)9-11/h2-9H,1H3,(H,20,21,25)