methyl 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]acetic acid methyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13N3O3S/c1-24-16(22)11-25-18-20-15-5-3-2-4-14(15)17(23)21(18)13-8-6-12(10-19)7-9-13/h2-9H,11H2,1H3