[2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-[[2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-keto-2-[[2-methyl-1-(2-thienyl)propyl]amino]ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC(C2=CC=CS2)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC(C2=CC=CS2)C(C)C

InChI

InChI=1S/C21H26N2O4S/c1-14(2)20(17-9-6-12-28-17)23-18(24)13-27-19(25)10-11-22-21(26)16-8-5-4-7-15(16)3/h4-9,12,14,20H,10-11,13H2,1-3H3,(H,22,26)(H,23,24)