[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-methylfuran-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-methylfuran-3-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C17H19NO4S MolecularWeight: 333.40206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CO1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4S/c1-13-15(7-9-21-13)17(20)22-11-16(19)18-8-10-23-12-14-5-3-2-4-6-14/h2-7,9H,8,10-12H2,1H3,(H,18,19)