methyl 2-[2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H20ClN3O5S/c1-29-10-9-25-19(27)14-8-7-13(22)11-17(14)24-21(25)31-12-18(26)23-16-6-4-3-5-15(16)20(28)30-2/h3-8,11H,9-10,12H2,1-2H3,(H,23,26)