[2-(4-chlorophenyl)-5-methoxy-4-oxidanylidene-2,3-dihydrothiochromen-8-yl] piperidine-1-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-5-methoxy-4-oxidanylidene-2,3-dihydrothiochromen-8-yl] piperidine-1-carboxylate Openeye Name: [2-(4-chlorophenyl)-5-methoxy-4-oxo-thiochroman-8-yl] piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid [2-(4-chlorophenyl)-5-methoxy-4-oxo-2,3-dihydro-1-benzothiopyran-8-yl] ester IUPAC Name: [2-(4-chlorophenyl)-5-methoxy-4-oxo-2,3-dihydrothiochromen-8-yl] piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid [2-(4-chlorophenyl)-4-keto-5-methoxy-thiochroman-8-yl] ester Formula: C22H22ClNO4S MolecularWeight: 431.93238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=O)CC(SC2=C(C=C1)OC(=O)N3CCCCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C2C(=O)CC(SC2=C(C=C1)OC(=O)N3CCCCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClNO4S/c1-27-17-9-10-18(28-22(26)24-11-3-2-4-12-24)21-20(17)16(25)13-19(29-21)14-5-7-15(23)8-6-14/h5-10,19H,2-4,11-13H2,1H3