[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 4-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 4-(2-oxolanylmethoxy)benzoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate Traditional Name: 4-(tetrahydrofurfuryloxy)benzoic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OCC3CCCO3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OCC3CCCO3

InChI

InChI=1S/C21H23NO5S/c1-28-19-10-6-16(7-11-19)22-20(23)14-27-21(24)15-4-8-17(9-5-15)26-13-18-3-2-12-25-18/h4-11,18H,2-3,12-14H2,1H3,(H,22,23)