methyl 3-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[3-(3-chloro-4-methoxy-phenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: 3-[[3-(3-chloro-4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: 3-[[3-(3-chloro-4-methoxy-phenyl)-4-keto-quinazolin-2-yl]thio]propionic acid methyl ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)OC)Cl

InChI

InChI=1S/C19H17ClN2O4S/c1-25-16-8-7-12(11-14(16)20)22-18(24)13-5-3-4-6-15(13)21-19(22)27-10-9-17(23)26-2/h3-8,11H,9-10H2,1-2H3