(2S)-N-(1,3-benzothiazol-2-ylmethyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N3O2S2/c22-17(19-11-16-20-12-5-1-2-7-14(12)25-16)13-6-3-9-21(13)18(23)15-8-4-10-24-15/h1-2,4-5,7-8,10,13H,3,6,9,11H2,(H,19,22)/t13-/m0/s1