[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H20N2O5S2/c1-13-5-2-3-6-14(13)11-18-15(20)12-24-16(21)8-9-19-26(22,23)17-7-4-10-25-17/h2-7,10,19H,8-9,11-12H2,1H3,(H,18,20)