propan-2-yl 3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-(methylthio)nicotinoyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C19H21N3O5S/c1-12(2)27-17(23)11-15(13-7-4-5-9-16(13)22(25)26)21-18(24)14-8-6-10-20-19(14)28-3/h4-10,12,15H,11H2,1-3H3,(H,21,24)