[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H20N2O5S2/c1-12-5-7-14(8-6-12)19-17(21)13(2)24-15(20)9-10-18-26(22,23)16-4-3-11-25-16/h3-8,11,13,18H,9-10H2,1-2H3,(H,19,21)/t13-/m0/s1