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

Systemtic Name: [4-[(E)-(4-oxidanylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-(4-oxo-3-phenyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-(4-keto-3-phenyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C23H14BrNO3S2 MolecularWeight: 496.39616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)SC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)/SC2=S

InChI

InChI=1S/C23H14BrNO3S2/c24-17-6-4-5-16(14-17)22(27)28-19-11-9-15(10-12-19)13-20-21(26)25(23(29)30-20)18-7-2-1-3-8-18/h1-14H/b20-13+