(2-ethylpyrazol-3-yl) (4Z)-5-methyl-1,1-bis(oxidanylidene)-4-prop-2-ynoxyimino-2,3-dihydrothiochromene-6-carboxylate

Systemtic Name: (2-ethylpyrazol-3-yl) (4Z)-5-methyl-1,1-bis(oxidanylidene)-4-prop-2-ynoxyimino-2,3-dihydrothiochromene-6-carboxylate Openeye Name: (2-ethylpyrazol-3-yl) (4Z)-5-methyl-1,1-dioxo-4-prop-2-ynoxyimino-2,3-dihydrothiochromene-6-carboxylate CAS Name: (4Z)-5-methyl-1,1-dioxo-4-prop-2-ynoxyimino-2,3-dihydro-1-benzothiopyran-6-carboxylic acid (2-ethyl-3-pyrazolyl) ester IUPAC Name: (2-ethylpyrazol-3-yl) (4Z)-5-methyl-1,1-dioxo-4-prop-2-ynoxyimino-2,3-dihydrothiochromene-6-carboxylate Traditional Name: (4Z)-1,1-diketo-5-methyl-4-propargyloximino-2,3-dihydrothiochromene-6-carboxylic acid (2-ethylpyrazol-3-yl) ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)OC(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3=NOCC#C)C

Isomeric SMILES

CCN1C(=CC=N1)OC(=O)C2=C(C\3=C(C=C2)S(=O)(=O)CC/C3=N/OCC#C)C

InChI

InChI=1S/C19H19N3O5S/c1-4-11-26-21-15-9-12-28(24,25)16-7-6-14(13(3)18(15)16)19(23)27-17-8-10-20-22(17)5-2/h1,6-8,10H,5,9,11-12H2,2-3H3/b21-15-