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

Systemtic Name: [4-[(E)-(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-(4-keto-3-methyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C18H12BrNO3S2 MolecularWeight: 434.32678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)SC1=S

Isomeric SMILES

CN1C(=O)/C(=C\C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)/SC1=S

InChI

InChI=1S/C18H12BrNO3S2/c1-20-16(21)15(25-18(20)24)9-11-5-7-14(8-6-11)23-17(22)12-3-2-4-13(19)10-12/h2-10H,1H3/b15-9+