methyl 4-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate Openeye Name: methyl 4-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl]thio]-3-nitro-benzoic acid methyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5S/c1-11-5-4-6-14(12(11)2)19-17(21)10-26-16-8-7-13(18(22)25-3)9-15(16)20(23)24/h7-9,11-12,14H,4-6,10H2,1-3H3,(H,19,21)