methyl 3-[4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(E)-cinnamyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[[(E)-3-phenylprop-2-enyl]thio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanylquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[(E)-cinnamyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-26-19(24)13-14-23-20(25)17-11-5-6-12-18(17)22-21(23)27-15-7-10-16-8-3-2-4-9-16/h2-12H,13-15H2,1H3/b10-7+