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

Systemtic Name: methyl 2-(2-cyanoethylsulfanyl)-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-cyanoethylsulfanyl)-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(2-cyanoethylthio)-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-cyanoethylsulfanyl)-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(2-cyanoethylthio)-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S/c1-24-17(23)12-5-6-14-15(10-12)20-18(26-9-3-7-19)21(16(14)22)11-13-4-2-8-25-13/h2,4-6,8,10H,3,9,11H2,1H3