ethyl 3-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(3-allyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(3-allyl-4-keto-quinazolin-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C23H20N2O4S/c1-3-13-25-21(26)16-10-5-7-11-18(16)24-23(25)30-14-17-15-9-6-8-12-19(15)29-20(17)22(27)28-4-2/h3,5-12H,1,4,13-14H2,2H3