[2-oxidanylidene-2-[2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[2-(4-oxo-2-thioxo-thiazolidin-3-yl)ethylamino]ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-oxo-2-[2-(4-oxo-2-sulfanylidene-3-thiazolidinyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-[2-(4-keto-2-thioxo-thiazolidin-3-yl)ethylamino]ethyl] ester Formula: C16H17BrN2O4S3 MolecularWeight: 477.41618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NCCN2C(=O)CSC2=S

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NCCN2C(=O)CSC2=S

InChI

InChI=1S/C16H17BrN2O4S3/c1-10-6-11(17)2-3-12(10)25-9-15(22)23-7-13(20)18-4-5-19-14(21)8-26-16(19)24/h2-3,6H,4-5,7-9H2,1H3,(H,18,20)