methyl 3-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: 3-[[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: 3-[[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]propionic acid methyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)OC

InChI

InChI=1S/C20H19ClN2O4S/c1-12-10-16(17(26-2)11-14(12)21)23-19(25)13-6-4-5-7-15(13)22-20(23)28-9-8-18(24)27-3/h4-7,10-11H,8-9H2,1-3H3