methyl 3-(2-methoxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methoxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-methoxyethyl)-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[(4-methylphenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 4-keto-3-(2-methoxyethyl)-2-[(4-methylbenzyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCOC

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCOC

InChI

InChI=1S/C21H22N2O4S/c1-14-4-6-15(7-5-14)13-28-21-22-18-12-16(20(25)27-3)8-9-17(18)19(24)23(21)10-11-26-2/h4-9,12H,10-11,13H2,1-3H3