(2S)-N-[4-(2-methylpropanoylamino)phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[4-(2-methylpropanoylamino)phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-(isobutyrylamino)phenyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-13(2)18(24)21-14-7-9-15(10-8-14)22-19(25)16-5-3-11-23(16)20(26)17-6-4-12-27-17/h4,6-10,12-13,16H,3,5,11H2,1-2H3,(H,21,24)(H,22,25)/t16-/m0/s1