methyl 3-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[7-chloro-3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: 3-[[7-chloro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: 3-[[7-chloro-4-keto-3-(o-tolyl)quinazolin-2-yl]thio]propionic acid methyl ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCC(=O)OC

InChI

InChI=1S/C19H17ClN2O3S/c1-12-5-3-4-6-16(12)22-18(24)14-8-7-13(20)11-15(14)21-19(22)26-10-9-17(23)25-2/h3-8,11H,9-10H2,1-2H3