methyl 3-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[(3-methoxyphenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-(m-anisylthio)quinazoline-7-carboxylic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H24N2O4S/c1-4-5-11-24-20(25)18-10-9-16(21(26)28-3)13-19(18)23-22(24)29-14-15-7-6-8-17(12-15)27-2/h6-10,12-13H,4-5,11,14H2,1-3H3