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

Systemtic Name: methyl 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(3-methoxypropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(3-methoxypropyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2,4-dichlorophenyl)methylthio]-3-(3-methoxypropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(3-methoxypropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2,4-dichlorobenzyl)thio]-4-keto-3-(3-methoxypropyl)quinazoline-7-carboxylic acid methyl ester Formula: C21H20Cl2N2O4S MolecularWeight: 467.3655

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O4S/c1-28-9-3-8-25-19(26)16-7-5-13(20(27)29-2)10-18(16)24-21(25)30-12-14-4-6-15(22)11-17(14)23/h4-7,10-11H,3,8-9,12H2,1-2H3