[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonylamino]-3-oxidanyl-butanoate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonylamino]-3-oxidanyl-butanoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-butyric acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C19H17BrClN3O6S2 MolecularWeight: 562.84178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)Br)NS(=O)(=O)C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C(C(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)Br)NS(=O)(=O)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C19H17BrClN3O6S2/c1-11(25)18(24-32(28,29)14-5-2-12(21)3-6-14)19(27)30-9-17(26)23-16-7-4-13(31-10-22)8-15(16)20/h2-8,11,18,24-25H,9H2,1H3,(H,23,26)