methyl 4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate Openeye Name: methyl 4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl]thio]-3-nitro-benzoic acid methyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SCC(=O)NCCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SCC(=O)NCCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5S/c1-26-18(23)13-4-7-16(15(10-13)21(24)25)27-11-17(22)20-9-8-12-2-5-14(19)6-3-12/h2-7,10H,8-9,11H2,1H3,(H,20,22)