[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate

Systemtic Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate Openeye Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxo-ethyl] 5-sulfamoylthiophene-3-carboxylate CAS Name: 5-sulfamoyl-3-thiophenecarboxylic acid [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate Traditional Name: 5-sulfamoylthiophene-3-carboxylic acid [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-keto-ethyl] ester Formula: C16H15N3O5S3 MolecularWeight: 425.5024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)COC(=O)C3=CSC(=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)COC(=O)C3=CSC(=C3)S(=O)(=O)N

InChI

InChI=1S/C16H15N3O5S3/c17-27(22,23)15-7-10(9-25-15)16(21)24-8-13(20)18-6-5-14-19-11-3-1-2-4-12(11)26-14/h1-4,7,9H,5-6,8H2,(H,18,20)(H2,17,22,23)