(1-ethylpyrazol-4-yl) 1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromene-2-carboxylate

Systemtic Name: (1-ethylpyrazol-4-yl) 1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromene-2-carboxylate Openeye Name: (1-ethylpyrazol-4-yl) 1,1-dioxo-3,4-dihydro-2H-thiochromene-2-carboxylate CAS Name: 1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-2-carboxylic acid (1-ethyl-4-pyrazolyl) ester IUPAC Name: (1-ethylpyrazol-4-yl) 1,1-dioxo-3,4-dihydro-2H-thiochromene-2-carboxylate Traditional Name: 1,1-diketo-3,4-dihydro-2H-thiochromene-2-carboxylic acid (1-ethylpyrazol-4-yl) ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)OC(=O)C2CCC3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCN1C=C(C=N1)OC(=O)C2CCC3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C15H16N2O4S/c1-2-17-10-12(9-16-17)21-15(18)14-8-7-11-5-3-4-6-13(11)22(14,19)20/h3-6,9-10,14H,2,7-8H2,1H3