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

Systemtic Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic 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-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(1-esylindolin-5-yl)-2-keto-ethyl] ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O5S2/c1-2-31(27,28)24-12-11-15-13-16(7-8-18(15)24)19(25)14-29-22(26)10-9-21-23-17-5-3-4-6-20(17)30-21/h3-8,13H,2,9-12,14H2,1H3