(2S)-N-(3-methylsulfanylphenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3-methylsulfanylphenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3-methylsulfanylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[3-(methylthio)phenyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(3-methylsulfanylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[3-(methylthio)phenyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C17H18N2O2S2/c1-22-13-6-2-5-12(11-13)18-16(20)14-7-3-9-19(14)17(21)15-8-4-10-23-15/h2,4-6,8,10-11,14H,3,7,9H2,1H3,(H,18,20)/t14-/m0/s1