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

Systemtic Name: ethyl 2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylpropanoate CAS Name: 2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]propionic acid ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-3-25-19(24)14(2)26-20-21-17-12-8-7-11-16(17)18(23)22(20)13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3