methyl 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate CAS Name: 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylthio]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Traditional Name: 2-[(6-carbethoxy-4H-1,3-benzodioxin-8-yl)methylthio]-4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylic acid methyl ester Formula: C30H29N3O9S2 MolecularWeight: 639.69596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CCC5=CC=C(C=C5)S(=O)(=O)N)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CCC5=CC=C(C=C5)S(=O)(=O)N)OCOC2

InChI

InChI=1S/C30H29N3O9S2/c1-3-41-29(36)20-12-21-15-40-17-42-26(21)22(13-20)16-43-30-32-25-14-19(28(35)39-2)6-9-24(25)27(34)33(30)11-10-18-4-7-23(8-5-18)44(31,37)38/h4-9,12-14H,3,10-11,15-17H2,1-2H3,(H2,31,37,38)