propan-2-yl 3-(4-methylphenyl)-3-[2-(4-nitrophenyl)sulfanylethanoylamino]propanoate

Systemtic Name: propan-2-yl 3-(4-methylphenyl)-3-[2-(4-nitrophenyl)sulfanylethanoylamino]propanoate Openeye Name: isopropyl 3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-(4-methylphenyl)-3-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-methylphenyl)-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoate Traditional Name: 3-[[2-[(4-nitrophenyl)thio]acetyl]amino]-3-(p-tolyl)propionic acid isopropyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5S/c1-14(2)28-21(25)12-19(16-6-4-15(3)5-7-16)22-20(24)13-29-18-10-8-17(9-11-18)23(26)27/h4-11,14,19H,12-13H2,1-3H3,(H,22,24)