2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O6S/c1-28-16-13-22(14-7-3-2-4-8-14)21-18(16)20(25)29-12-11-23-19(24)15-9-5-6-10-17(15)30(23,26)27/h2-10,13H,11-12H2,1H3