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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

InChI

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