2-[[1-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 2-[[1-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[[1-(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 2-[[1-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 2-[[1-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[[1-(5-carbethoxy-4-methyl-thiazol-2-yl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]benzoic acid Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C18H17N5O5S/c1-4-28-17(27)14-10(3)19-18(29-14)23-15(24)13(9(2)22-23)21-20-12-8-6-5-7-11(12)16(25)26/h5-8,13H,4H2,1-3H3,(H,25,26)