methyl 3-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C18H16N2O4S/c1-23-17(22)15-11(8-9-24-15)10-25-18-19-14-5-3-2-4-13(14)16(21)20(18)12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3