methyl 3-[2-[2-[(4-bromophenyl)sulfonylamino]phenyl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-[(4-bromophenyl)sulfonylamino]phenyl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-[(4-bromophenyl)sulfonylamino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[2-[(4-bromophenyl)sulfonylamino]phenyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[2-[(4-bromophenyl)sulfonylamino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[2-(brosylamino)phenyl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H17BrN2O5S3 MolecularWeight: 541.45838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN2O5S3/c1-28-20(25)19-16(10-11-29-19)22-18(24)12-30-17-5-3-2-4-15(17)23-31(26,27)14-8-6-13(21)7-9-14/h2-11,23H,12H2,1H3,(H,22,24)