ethyl 2-[2-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2-ethyl-5-methyl-pyrazole-3-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-ethyl-5-methylpyrazole-3-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-ethyl-5-methyl-pyrazole-3-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H21N5O5S2 MolecularWeight: 451.51984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OCC

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OCC

InChI

InChI=1S/C18H21N5O5S2/c1-4-23-14(8-11(3)21-23)17(25)20-18-22(10-16(24)28-5-2)13-7-6-12(30(19,26)27)9-15(13)29-18/h6-9H,4-5,10H2,1-3H3,(H2,19,26,27)