[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (3R)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (3R)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] (3R)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H20N4O4S/c1-2-13-6-8-15(9-7-13)25-11-14(10-19(25)27)21(28)29-12-18(26)22-16-4-3-5-17-20(16)24-30-23-17/h3-9,14H,2,10-12H2,1H3,(H,22,26)/t14-/m1/s1