methyl 3-(2-methoxyethyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methoxyethyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-methoxyethyl)-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxylate CAS Name: 3-(2-methoxyethyl)-4-oxo-2-(phenacylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxyethyl)-4-oxo-2-phenacylsulfanylquinazoline-7-carboxylate Traditional Name: 4-keto-3-(2-methoxyethyl)-2-(phenacylthio)quinazoline-7-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)C3=CC=CC=C3

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-27-11-10-23-19(25)16-9-8-15(20(26)28-2)12-17(16)22-21(23)29-13-18(24)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3