methyl 2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methylthio]-4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylic acid methyl ester Formula: C27H22ClN3O5S3 MolecularWeight: 600.12868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CSC4=C3C=C(C=C4)Cl)CCC5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CSC4=C3C=C(C=C4)Cl)CCC5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C27H22ClN3O5S3/c1-36-26(33)17-4-8-21-23(12-17)30-27(38-15-18-14-37-24-9-5-19(28)13-22(18)24)31(25(21)32)11-10-16-2-6-20(7-3-16)39(29,34)35/h2-9,12-14H,10-11,15H2,1H3,(H2,29,34,35)