methyl 2-(cyanomethylsulfanyl)-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(cyanomethylsulfanyl)-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(cyanomethylsulfanyl)-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(cyanomethylthio)-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethylsulfanyl)-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(cyanomethylthio)-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CC3=CC=CO3

InChI

InChI=1S/C17H13N3O4S/c1-23-16(22)11-4-5-13-14(9-11)19-17(25-8-6-18)20(15(13)21)10-12-3-2-7-24-12/h2-5,7,9H,8,10H2,1H3