(2-oxidanylidene-2-phenylazanyl-ethyl) 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-anilino-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-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-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-anilino-2-keto-ethyl) ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-2-29-16-8-9-17-18(11-16)31-22(24-17)25-12-14(10-20(25)27)21(28)30-13-19(26)23-15-6-4-3-5-7-15/h3-9,11,14H,2,10,12-13H2,1H3,(H,23,26)