(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C1=CC=CC=C1)C(=O)N2CCCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)OC(C1=CC=CC=C1)C(=O)N2CCCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O4S/c1-15(2)18(23-20(25)17-11-8-14-29-17)22(27)28-19(16-9-4-3-5-10-16)21(26)24-12-6-7-13-24/h3-5,8-11,14-15,18-19H,6-7,12-13H2,1-2H3,(H,23,25)