[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxylic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H20BrN3O5S MolecularWeight: 518.3803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2CC(=O)N(C2)C3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2CC(=O)N(C2)C3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C22H20BrN3O5S/c1-12-7-14(23)3-5-16(12)24-19(27)11-31-21(29)13-8-20(28)26(10-13)22-25-17-6-4-15(30-2)9-18(17)32-22/h3-7,9,13H,8,10-11H2,1-2H3,(H,24,27)