methyl 2-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(N-ethyl-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate CAS Name: 2-[[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thio]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Traditional Name: 2-[[2-(N-ethyl-3-methyl-anilino)-2-keto-ethyl]thio]-4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylic acid methyl ester Formula: C29H30N4O6S2 MolecularWeight: 594.7017

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C29H30N4O6S2/c1-4-32(22-7-5-6-19(2)16-22)26(34)18-40-29-31-25-17-21(28(36)39-3)10-13-24(25)27(35)33(29)15-14-20-8-11-23(12-9-20)41(30,37)38/h5-13,16-17H,4,14-15,18H2,1-3H3,(H2,30,37,38)