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

Systemtic Name: (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C18H17N3O2S2/c1-11-19-13-7-6-12(10-16(13)25-11)20-17(22)14-4-2-8-21(14)18(23)15-5-3-9-24-15/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,20,22)/t14-/m0/s1