[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-keto-ethyl] ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)N2CCSC3=CC=CC=C32

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)N2CCSC3=CC=CC=C32

InChI

InChI=1S/C15H15N3O3S/c1-17-9-11(8-16-17)15(20)21-10-14(19)18-6-7-22-13-5-3-2-4-12(13)18/h2-5,8-9H,6-7,10H2,1H3