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

Systemtic Name: [2-bromanyl-4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-bromo-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-bromo-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-bromo-phenyl] ester Formula: C21H16BrNO3S2 MolecularWeight: 474.39064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC=C)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC=C)Br

InChI

InChI=1S/C21H16BrNO3S2/c1-3-9-23-19(24)18(28-21(23)27)12-14-7-8-17(16(22)11-14)26-20(25)15-6-4-5-13(2)10-15/h3-8,10-12H,1,9H2,2H3