(3S)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide CAS Name: (3S)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-(4-methyl-1,3-benzothiazol-2-yl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CC(=O)N(C3)C(C)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H]3CC(=O)N(C3)[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-13-7-6-10-17-19(13)22-21(27-17)23-20(26)16-11-18(25)24(12-16)14(2)15-8-4-3-5-9-15/h3-10,14,16H,11-12H2,1-2H3,(H,22,23,26)/t14-,16+/m1/s1