[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OC(C)C(=O)NCC2=CC=CS2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OC(C)C(=O)NCC2=CC=CS2

InChI

InChI=1S/C19H22N2O4S/c1-13-6-3-4-8-16(13)19(24)20-10-9-17(22)25-14(2)18(23)21-12-15-7-5-11-26-15/h3-8,11,14H,9-10,12H2,1-2H3,(H,20,24)(H,21,23)