[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-keto-pyrrolidine-3-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CC(CC3=O)C(=O)OCC(=O)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CC(CC3=O)C(=O)OCC(=O)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C24H25N3O5S/c1-4-31-18-5-6-19-20(11-18)33-24(26-19)27-12-16(10-22(27)29)23(30)32-13-21(28)25-17-8-14(2)7-15(3)9-17/h5-9,11,16H,4,10,12-13H2,1-3H3,(H,25,28)