[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C18H25NO4S MolecularWeight: 351.4604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCC2CCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCC2CCCCC2

InChI

InChI=1S/C18H25NO4S/c1-22-16-10-14(24-2)8-9-15(16)18(21)23-12-17(20)19-11-13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3,(H,19,20)