(2S)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCCN3C(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4)C

InChI

InChI=1S/C19H19N3O2S2/c1-11-9-12(2)16-15(10-11)26-19(20-16)21-17(23)13-5-3-7-22(13)18(24)14-6-4-8-25-14/h4,6,8-10,13H,3,5,7H2,1-2H3,(H,20,21,23)/t13-/m0/s1