methyl 2-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-(4-chlorophenyl)sulfanyl-5-nitro-benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenyl)sulfanyl-5-nitrobenzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]-5-nitro-benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H19ClN2O5S MolecularWeight: 470.92536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H19ClN2O5S/c1-31-23(28)20(13-15-5-3-2-4-6-15)25-22(27)19-14-17(26(29)30)9-12-21(19)32-18-10-7-16(24)8-11-18/h2-12,14,20H,13H2,1H3,(H,25,27)