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

Systemtic Name: (3R)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3R)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C

InChI

InChI=1S/C22H22N4O3S/c1-3-14-4-7-17(8-5-14)26-12-15(10-20(26)28)21(29)25-22-24-18-9-6-16(23-13(2)27)11-19(18)30-22/h4-9,11,15H,3,10,12H2,1-2H3,(H,23,27)(H,24,25,29)/t15-/m1/s1