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

Systemtic Name: methyl 4-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate Openeye Name: methyl 4-[2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[2-[(2-chlorobenzyl)amino]-2-keto-ethyl]thio]-3-nitro-benzoic acid methyl ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SCC(=O)NCC2=CC=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SCC(=O)NCC2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O5S/c1-25-17(22)11-6-7-15(14(8-11)20(23)24)26-10-16(21)19-9-12-4-2-3-5-13(12)18/h2-8H,9-10H2,1H3,(H,19,21)