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

Systemtic Name: (3S)-1-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-p-phenetyl-pyrrolidine-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C21H21N3O4S/c1-3-28-15-6-4-14(5-7-15)24-12-13(10-19(24)25)20(26)23-21-22-17-9-8-16(27-2)11-18(17)29-21/h4-9,11,13H,3,10,12H2,1-2H3,(H,22,23,26)/t13-/m0/s1