methyl 3-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylpropanoate CAS Name: 3-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate Traditional Name: 3-[(3-benzyl-4-keto-quinazolin-2-yl)thio]propionic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-24-17(22)11-12-25-19-20-16-10-6-5-9-15(16)18(23)21(19)13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3