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

Systemtic Name: [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]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic 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-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C20H14BrNO3S2 MolecularWeight: 460.36406

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)SC1=S

Isomeric SMILES

C=CCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)SC1=S

InChI

InChI=1S/C20H14BrNO3S2/c1-2-10-22-18(23)17(27-20(22)26)11-13-6-8-16(9-7-13)25-19(24)14-4-3-5-15(21)12-14/h2-9,11-12H,1,10H2