methyl 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-keto-3-(2-methoxyethyl)quinazoline-7-carboxylic acid methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5S/c1-28-10-9-24-19(26)16-8-5-14(20(27)29-2)11-17(16)23-21(24)30-12-18(25)13-3-6-15(22)7-4-13/h3-8,11H,9-10,12H2,1-2H3