methyl 6-[2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]hexanoate

Systemtic Name: methyl 6-[2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]hexanoate Openeye Name: methyl 6-[2-(m-tolylmethylsulfanyl)-4-oxo-quinazolin-3-yl]hexanoate CAS Name: 6-[2-[(3-methylphenyl)methylthio]-4-oxo-3-quinazolinyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[2-[(3-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]hexanoate Traditional Name: 6-[4-keto-2-[(3-methylbenzyl)thio]quinazolin-3-yl]hexanoic acid methyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)OC

InChI

InChI=1S/C23H26N2O3S/c1-17-9-8-10-18(15-17)16-29-23-24-20-12-6-5-11-19(20)22(27)25(23)14-7-3-4-13-21(26)28-2/h5-6,8-12,15H,3-4,7,13-14,16H2,1-2H3