methyl 1-[2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[7-chloro-3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[7-chloro-4-keto-3-(m-tolyl)quinazolin-2-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C24H24ClN3O4S MolecularWeight: 485.98306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O4S/c1-15-4-3-5-18(12-15)28-22(30)19-7-6-17(25)13-20(19)26-24(28)33-14-21(29)27-10-8-16(9-11-27)23(31)32-2/h3-7,12-13,16H,8-11,14H2,1-2H3