methyl 3-[2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H20ClN3O5S2 MolecularWeight: 481.9729

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H20ClN3O5S2/c1-28-8-3-7-24-18(26)13-5-4-12(21)10-15(13)23-20(24)31-11-16(25)22-14-6-9-30-17(14)19(27)29-2/h4-6,9-10H,3,7-8,11H2,1-2H3,(H,22,25)