1-(4-methylphenyl)-N-[2-(2-methylpropanoylamino)ethyl]-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)-N-[2-(2-methylpropanoylamino)ethyl]-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-yl-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylphenyl)-N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-5-keto-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCCNC(=O)C(C)C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCCNC(=O)C(C)C)C3=CC=CS3

InChI

InChI=1S/C22H27N3O3S/c1-14(2)21(27)23-10-11-24-22(28)17-13-19(26)25(16-8-6-15(3)7-9-16)20(17)18-5-4-12-29-18/h4-9,12,14,17,20H,10-11,13H2,1-3H3,(H,23,27)(H,24,28)