[2-bromanyl-6-methoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzoate

Systemtic Name: [2-bromanyl-6-methoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzoate Openeye Name: [2-bromo-6-methoxy-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-bromo-6-methoxy-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-bromo-4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-6-methoxy-phenyl] ester Formula: C19H14BrNO4S2 MolecularWeight: 464.35276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C=C3C(=O)NC(=S)S3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C=C3C(=O)NC(=S)S3)OC

InChI

InChI=1S/C19H14BrNO4S2/c1-10-3-5-12(6-4-10)18(23)25-16-13(20)7-11(8-14(16)24-2)9-15-17(22)21-19(26)27-15/h3-9H,1-2H3,(H,21,22,26)