[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 5-oxo-1-(4-phenylthiazol-2-yl)pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-(4-phenyl-2-thiazolyl)-3-pyrrolidinecarboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(4-phenylthiazol-2-yl)pyrrolidine-3-carboxylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C23H20BrN3O4S MolecularWeight: 514.3916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2CC(=O)N(C2)C3=NC(=CS3)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2CC(=O)N(C2)C3=NC(=CS3)C4=CC=CC=C4)Br

InChI

InChI=1S/C23H20BrN3O4S/c1-14-9-17(7-8-18(14)24)25-20(28)12-31-22(30)16-10-21(29)27(11-16)23-26-19(13-32-23)15-5-3-2-4-6-15/h2-9,13,16H,10-12H2,1H3,(H,25,28)