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

Systemtic Name: (3R)-1-(4-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3R)-1-(4-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-1-(4-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-1-(4-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-5-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-1-p-phenetyl-pyrrolidine-3-carboxamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S2/c1-3-29-15-6-4-14(5-7-15)24-12-13(10-19(24)25)20(26)23-21-22-17-9-8-16(31(2,27)28)11-18(17)30-21/h4-9,11,13H,3,10,12H2,1-2H3,(H,22,23,26)/t13-/m1/s1