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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCNC(=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCNC(=O)C

InChI

InChI=1S/C18H23N3O4S/c1-4-5-9-21-16(23)14-7-6-13(17(24)25-3)11-15(14)20-18(21)26-10-8-19-12(2)22/h6-7,11H,4-5,8-10H2,1-3H3,(H,19,22)