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

Systemtic Name: methyl 4-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate Openeye Name: methyl 4-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[2-(cycloheptylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[2-(cycloheptylamino)-2-keto-ethyl]thio]-3-nitro-benzoic acid methyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SCC(=O)NC2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SCC(=O)NC2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5S/c1-24-17(21)12-8-9-15(14(10-12)19(22)23)25-11-16(20)18-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,18,20)