methyl 5-[(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H17ClN2O4S/c1-3-8-21-16(22)13-6-4-11(19)9-14(13)20-18(21)26-10-12-5-7-15(25-12)17(23)24-2/h4-7,9H,3,8,10H2,1-2H3