[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(1-esylindolin-5-yl)-2-keto-ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18N2O5S/c1-2-28(25,26)22-9-8-15-11-16(6-7-18(15)22)19(23)13-27-20(24)17-5-3-4-14(10-17)12-21/h3-7,10-11H,2,8-9,13H2,1H3