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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C15H21NO4S MolecularWeight: 311.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=C(C=C(C=C1)SC)OC

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=C(C=C(C=C1)SC)OC

InChI

InChI=1S/C15H21NO4S/c1-10(2)8-16-14(17)9-20-15(18)12-6-5-11(21-4)7-13(12)19-3/h5-7,10H,8-9H2,1-4H3,(H,16,17)