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

Systemtic Name: methyl 2-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[3-(3-chloro-4-methoxy-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(3-chloro-4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(3-chloro-4-methoxy-phenyl)-4-keto-quinazolin-2-yl]thio]acetic acid methyl ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC)Cl

InChI

InChI=1S/C18H15ClN2O4S/c1-24-15-8-7-11(9-13(15)19)21-17(23)12-5-3-4-6-14(12)20-18(21)26-10-16(22)25-2/h3-9H,10H2,1-2H3