(2S)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C23H19N3O2S2 MolecularWeight: 433.54586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H19N3O2S2/c27-21(18-9-4-12-26(18)23(28)20-11-5-13-29-20)24-16-7-3-6-15(14-16)22-25-17-8-1-2-10-19(17)30-22/h1-3,5-8,10-11,13-14,18H,4,9,12H2,(H,24,27)/t18-/m0/s1