[1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OC(C)C(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OC(C)C(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C19H21N3O5S/c1-11-5-3-4-6-13(11)18(26)21-9-7-15(23)27-12(2)17(25)22-19-14(16(20)24)8-10-28-19/h3-6,8,10,12H,7,9H2,1-2H3,(H2,20,24)(H,21,26)(H,22,25)