methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]-3-phenylpropanoate Traditional Name: 2-[[4-(methylthio)-3-nitro-benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-25-18(22)14(10-12-6-4-3-5-7-12)19-17(21)13-8-9-16(26-2)15(11-13)20(23)24/h3-9,11,14H,10H2,1-2H3,(H,19,21)