(2S)-N-(4-iodanyl-2-methyl-phenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4-iodanyl-2-methyl-phenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-iodo-2-methyl-phenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4-iodo-2-methylphenyl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-iodo-2-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-iodo-2-methyl-phenyl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C17H17IN2O2S MolecularWeight: 440.29855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C17H17IN2O2S/c1-11-10-12(18)6-7-13(11)19-16(21)14-4-2-8-20(14)17(22)15-5-3-9-23-15/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,19,21)/t14-/m0/s1