methyl 4-[[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C23H19N3O3S/c1-29-22(28)18-10-8-16(9-11-18)15-30-23-25-20-7-3-2-6-19(20)21(27)26(23)14-17-5-4-12-24-13-17/h2-13H,14-15H2,1H3