methyl 2-[(2,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-3-(2-oxidanylpropyl)quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-3-(2-oxidanylpropyl)quinazoline-7-carboxylate Openeye Name: methyl 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(2-hydroxypropyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2,4-dichlorophenyl)methylthio]-3-(2-hydroxypropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(2-hydroxypropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2,4-dichlorobenzyl)thio]-3-(2-hydroxypropyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H18Cl2N2O4S MolecularWeight: 453.33892

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C20H18Cl2N2O4S/c1-11(25)9-24-18(26)15-6-4-12(19(27)28-2)7-17(15)23-20(24)29-10-13-3-5-14(21)8-16(13)22/h3-8,11,25H,9-10H2,1-2H3