methyl 3-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoate Openeye Name: methyl 3-[2-[(E)-styryl]quinazolin-4-yl]sulfanylpropanoate CAS Name: 3-[[2-[(E)-2-phenylethenyl]-4-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoate Traditional Name: 3-[[2-[(E)-styryl]quinazolin-4-yl]thio]propionic acid methyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC(=NC2=CC=CC=C21)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCSC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O2S/c1-24-19(23)13-14-25-20-16-9-5-6-10-17(16)21-18(22-20)12-11-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3/b12-11+