2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O3S/c1-13-8-9-14(24(26)27)11-16(13)21-19(25)12-23-10-4-6-17(23)20-22-15-5-2-3-7-18(15)28-20/h2-3,5,7-9,11,17H,4,6,10,12H2,1H3,(H,21,25)/t17-/m1/s1