methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-(o-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[(2-methylphenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-[(2-methylbenzyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CCCCC4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CCCCC4

InChI

InChI=1S/C26H28N2O3S/c1-18-8-6-7-11-21(18)17-32-26-27-23-16-20(25(30)31-2)12-13-22(23)24(29)28(26)15-14-19-9-4-3-5-10-19/h6-9,11-13,16H,3-5,10,14-15,17H2,1-2H3