ethyl 5-[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[4-(diisobutylsulfamoyl)benzoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[4-(diisobutylsulfamoyl)benzoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C24H31N3O5S3 MolecularWeight: 537.71504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC(C)C)CC(C)C)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC(C)C)CC(C)C)SC#N)C

InChI

InChI=1S/C24H31N3O5S3/c1-7-32-24(29)21-17(6)20(33-14-25)23(34-21)26-22(28)18-8-10-19(11-9-18)35(30,31)27(12-15(2)3)13-16(4)5/h8-11,15-16H,7,12-13H2,1-6H3,(H,26,28)