(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C(=O)N2CCCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)C(=O)N2CCCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O4S/c1-15(2)19(23-20(25)18-6-5-13-29-18)22(27)28-14-16-7-9-17(10-8-16)21(26)24-11-3-4-12-24/h5-10,13,15,19H,3-4,11-12,14H2,1-2H3,(H,23,25)