[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)NC(=O)C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)NC(=O)C3CCCCC3)OC

InChI

InChI=1S/C25H30N2O6S/c1-31-21-13-19(20(14-22(21)32-2)27-24(29)16-8-5-4-6-9-16)25(30)33-15-23(28)26-17-10-7-11-18(12-17)34-3/h7,10-14,16H,4-6,8-9,15H2,1-3H3,(H,26,28)(H,27,29)