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

Systemtic Name: methyl 1-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OC

InChI

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