ethyl 5-bromanyl-3-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H15BrN2O4S/c1-2-26-19(25)17-14(13-9-11(21)7-8-16(13)27-17)10-28-20-22-15-6-4-3-5-12(15)18(24)23-20/h3-9H,2,10H2,1H3,(H,22,23,24)