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

Systemtic Name: [2-[(4-bromanyl-2-ethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-ethyl-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-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-ethylanilino)-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-ethyl-anilino)-2-keto-ethyl] ester Formula: C23H22BrN3O5S MolecularWeight: 532.40688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2CC(=O)N(C2)C3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CCC1=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/C23H22BrN3O5S/c1-3-13-8-15(24)4-6-17(13)25-20(28)12-32-22(30)14-9-21(29)27(11-14)23-26-18-7-5-16(31-2)10-19(18)33-23/h4-8,10,14H,3,9,11-12H2,1-2H3,(H,25,28)