(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: (3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-keto-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CC(=O)N(C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H21N3O3S/c1-3-27-16-8-9-17-18(11-16)28-21(22-17)23-20(26)14-10-19(25)24(12-14)15-6-4-13(2)5-7-15/h4-9,11,14H,3,10,12H2,1-2H3,(H,22,23,26)/t14-/m0/s1