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

Systemtic Name: methyl 2-(2-acetamidoethylsulfanyl)-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-acetamidoethylsulfanyl)-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(2-acetamidoethylthio)-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-acetamidoethylsulfanyl)-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(2-acetamidoethylthio)-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

Isomeric SMILES

CC(=O)NCCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C19H19N3O5S/c1-12(23)20-7-9-28-19-21-16-10-13(18(25)26-2)5-6-15(16)17(24)22(19)11-14-4-3-8-27-14/h3-6,8,10H,7,9,11H2,1-2H3,(H,20,23)