(2S)-N-(4-acetamido-3-chloranyl-phenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4-acetamido-3-chloranyl-phenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-acetamido-3-chloro-phenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4-acetamido-3-chlorophenyl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-acetamido-3-chlorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-acetamido-3-chloro-phenyl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3=CC=CS3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C18H18ClN3O3S/c1-11(23)20-14-7-6-12(10-13(14)19)21-17(24)15-4-2-8-22(15)18(25)16-5-3-9-26-16/h3,5-7,9-10,15H,2,4,8H2,1H3,(H,20,23)(H,21,24)/t15-/m0/s1