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

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

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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)C

Isomeric SMILES

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

InChI

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