methyl 3-[(5-bromanyl-1,3-thiazol-2-yl)carbamoylsulfamoyl]-1-benzothiophene-5-carboxylate

Systemtic Name: methyl 3-[(5-bromanyl-1,3-thiazol-2-yl)carbamoylsulfamoyl]-1-benzothiophene-5-carboxylate Openeye Name: methyl 3-[(5-bromothiazol-2-yl)carbamoylsulfamoyl]benzothiophene-5-carboxylate CAS Name: 3-[[[(5-bromo-2-thiazolyl)amino]-oxomethyl]sulfamoyl]-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(5-bromo-1,3-thiazol-2-yl)carbamoylsulfamoyl]-1-benzothiophene-5-carboxylate Traditional Name: 3-[(5-bromothiazol-2-yl)carbamoylsulfamoyl]benzothiophene-5-carboxylic acid methyl ester Formula: C14H10BrN3O5S3 MolecularWeight: 476.3453

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC=C2S(=O)(=O)NC(=O)NC3=NC=C(S3)Br

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC=C2S(=O)(=O)NC(=O)NC3=NC=C(S3)Br

InChI

InChI=1S/C14H10BrN3O5S3/c1-23-12(19)7-2-3-9-8(4-7)10(6-24-9)26(21,22)18-13(20)17-14-16-5-11(15)25-14/h2-6H,1H3,(H2,16,17,18,20)