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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C14H17NO4S MolecularWeight: 295.35408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2CC2

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2CC2

InChI

InChI=1S/C14H17NO4S/c1-18-12-7-10(20-2)5-6-11(12)14(17)19-8-13(16)15-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,16)