ethyl 5-[[4-[(4-bromophenyl)sulfonylamino]phenyl]carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[4-[(4-bromophenyl)sulfonylamino]phenyl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[4-[(4-bromophenyl)sulfonylamino]benzoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[4-[(4-bromophenyl)sulfonylamino]phenyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-[(4-bromophenyl)sulfonylamino]benzoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[4-(brosylamino)benzoyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H19BrN2O5S2 MolecularWeight: 523.41996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H19BrN2O5S2/c1-3-29-21(26)19-13(2)12-18(30-19)23-20(25)14-4-8-16(9-5-14)24-31(27,28)17-10-6-15(22)7-11-17/h4-12,24H,3H2,1-2H3,(H,23,25)