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

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3-nitroanilino)-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-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-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-keto-2-(3-nitroanilino)ethyl] ester Formula: C22H20N4O7S MolecularWeight: 484.4818

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O7S/c1-2-32-16-6-7-17-18(10-16)34-22(24-17)25-11-13(8-20(25)28)21(29)33-12-19(27)23-14-4-3-5-15(9-14)26(30)31/h3-7,9-10,13H,2,8,11-12H2,1H3,(H,23,27)