methyl 3-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[[4-(methylthio)phenyl]methyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl-[4-(methylthio)benzyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H18N2O5S/c1-19(11-12-4-6-16(26-3)7-5-12)17(21)13-8-14(18(22)25-2)10-15(9-13)20(23)24/h4-10H,11H2,1-3H3