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

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H22N2O5S2/c1-14-5-2-3-6-15(14)8-10-19-16(21)13-25-17(22)9-11-20-27(23,24)18-7-4-12-26-18/h2-7,12,20H,8-11,13H2,1H3,(H,19,21)