methyl 3-(2-hydroxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-hydroxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-hydroxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-hydroxyethyl)-2-[2-(2-methylphenoxy)ethylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-hydroxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-2-[2-(2-methylphenoxy)ethylthio]quinazoline-7-carboxylic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCO

Isomeric SMILES

CC1=CC=CC=C1OCCSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCO

InChI

InChI=1S/C21H22N2O5S/c1-14-5-3-4-6-18(14)28-11-12-29-21-22-17-13-15(20(26)27-2)7-8-16(17)19(25)23(21)9-10-24/h3-8,13,24H,9-12H2,1-2H3