propan-2-yl 3-[2-(4-nitrophenyl)sulfanylpropanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[2-(4-nitrophenyl)sulfanylpropanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[2-(4-nitrophenyl)sulfanylpropanoylamino]-3-phenyl-propanoate CAS Name: 3-[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[2-(4-nitrophenyl)sulfanylpropanoylamino]-3-phenylpropanoate Traditional Name: 3-[2-[(4-nitrophenyl)thio]propanoylamino]-3-phenyl-propionic acid isopropyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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