(3-morpholin-4-ylsulfonylphenyl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid (3-morpholinosulfonylbenzyl) ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N2O6S2/c1-15(2)19(22-20(24)18-7-4-12-30-18)21(25)29-14-16-5-3-6-17(13-16)31(26,27)23-8-10-28-11-9-23/h3-7,12-13,15,19H,8-11,14H2,1-2H3,(H,22,24)