[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3CCCCC3

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C19H23NO4S/c1-25-12-15-14-9-5-6-10-16(14)24-18(15)19(22)23-11-17(21)20-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,20,21)