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

Systemtic Name: ethyl 3-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(3-methyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(3-methyl-4-oxo-2-quinazolinyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-keto-3-methyl-quinazolin-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C21H18N2O4S/c1-3-26-20(25)18-15(13-8-5-7-11-17(13)27-18)12-28-21-22-16-10-6-4-9-14(16)19(24)23(21)2/h4-11H,3,12H2,1-2H3