ethyl 2-[2-(1-methylpyrazol-3-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1-methylpyrazol-3-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1-methylpyrazole-3-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(1-methyl-3-pyrazolyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-methylpyrazole-3-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1-methylpyrazole-3-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C16H17N5O5S2 MolecularWeight: 423.46668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=NN(C=C3)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=NN(C=C3)C

InChI

InChI=1S/C16H17N5O5S2/c1-3-26-14(22)9-21-12-5-4-10(28(17,24)25)8-13(12)27-16(21)18-15(23)11-6-7-20(2)19-11/h4-8H,3,9H2,1-2H3,(H2,17,24,25)