4-[[(4Z)-4-ethoxyimino-5-methyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbonyl]-5-ethyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[[(4Z)-4-ethoxyimino-5-methyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbonyl]-5-ethyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4Z)-4-ethoxyimino-5-methyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl]-5-ethyl-1,2-dihydropyrazol-3-one CAS Name: 4-[[(4Z)-4-ethoxyimino-5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiopyran-6-yl]-oxomethyl]-5-ethyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4Z)-4-ethoxyimino-5-methyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl]-5-ethyl-1,2-dihydropyrazol-3-one Traditional Name: 5-ethyl-4-[(4Z)-4-ethyloximino-1,1-diketo-5-methyl-2,3-dihydrothiochromene-6-carbonyl]-3-pyrazolin-3-one Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)NN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3=NOCC)C

Isomeric SMILES

CCC1=C(C(=O)NN1)C(=O)C2=C(C\3=C(C=C2)S(=O)(=O)CC/C3=N/OCC)C

InChI

InChI=1S/C18H21N3O5S/c1-4-12-16(18(23)20-19-12)17(22)11-6-7-14-15(10(11)3)13(21-26-5-2)8-9-27(14,24)25/h6-7H,4-5,8-9H2,1-3H3,(H2,19,20,23)/b21-13-