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

Systemtic Name: methyl 2-(2-acetamidoethylsulfanyl)-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-acetamidoethylsulfanyl)-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(2-acetamidoethylthio)-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-acetamidoethylsulfanyl)-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(2-acetamidoethylthio)-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCNC(=O)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCNC(=O)C

InChI

InChI=1S/C18H23N3O4S/c1-11(2)10-21-16(23)14-6-5-13(17(24)25-4)9-15(14)20-18(21)26-8-7-19-12(3)22/h5-6,9,11H,7-8,10H2,1-4H3,(H,19,22)