ethyl 5-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[3-(1,3-benzothiazol-2-ylthio)propylsulfonylamino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[3-(1,3-benzothiazol-2-ylthio)propylsulfonylamino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C16H18N4O4S3 MolecularWeight: 426.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H18N4O4S3/c1-2-24-15(21)11-10-17-19-14(11)20-27(22,23)9-5-8-25-16-18-12-6-3-4-7-13(12)26-16/h3-4,6-7,10H,2,5,8-9H2,1H3,(H2,17,19,20)