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

Systemtic Name: ethyl 2-[2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1-isopropylpyrazole-3-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[oxo-(1-propan-2-yl-3-pyrazolyl)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-propan-2-ylpyrazole-3-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1-isopropylpyrazole-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5S2/c1-4-28-16(24)10-22-14-6-5-12(30(19,26)27)9-15(14)29-18(22)20-17(25)13-7-8-23(21-13)11(2)3/h5-9,11H,4,10H2,1-3H3,(H2,19,26,27)