[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-methoxy-4-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-methoxy-4-methyl-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2)OC

InChI

InChI=1S/C19H21NO4S/c1-14-8-9-15(12-17(14)23-2)19(22)24-13-18(21)20-10-11-25-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)