methyl 1-[2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C25H27N3O4S/c1-16-7-6-8-17(2)22(16)28-23(30)19-9-4-5-10-20(19)26-25(28)33-15-21(29)27-13-11-18(12-14-27)24(31)32-3/h4-10,18H,11-15H2,1-3H3