[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-4-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(4-quinazolinylthio)ethyl]-4-piperidinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 1-[2-(quinazolin-4-ylthio)acetyl]isonipecotic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C26H27N3O4S MolecularWeight: 477.57528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C26H27N3O4S/c1-17-7-8-18(2)21(13-17)23(30)14-33-26(32)19-9-11-29(12-10-19)24(31)15-34-25-20-5-3-4-6-22(20)27-16-28-25/h3-8,13,16,19H,9-12,14-15H2,1-2H3