[2-ethyl-4-[[4,4,5,8-tetramethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbonyl]pyrazol-3-yl] ethanoate

Systemtic Name: [2-ethyl-4-[[4,4,5,8-tetramethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbonyl]pyrazol-3-yl] ethanoate Openeye Name: [2-ethyl-4-(4,4,5,8-tetramethyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl)pyrazol-3-yl] acetate CAS Name: acetic acid [2-ethyl-4-[oxo-(4,4,5,8-tetramethyl-1,1-dioxo-2,3-dihydro-1-benzothiopyran-6-yl)methyl]-3-pyrazolyl] ester IUPAC Name: [2-ethyl-4-(4,4,5,8-tetramethyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl)pyrazol-3-yl] acetate Traditional Name: acetic acid [4-(1,1-diketo-4,4,5,8-tetramethyl-2,3-dihydrothiochromene-6-carbonyl)-2-ethyl-pyrazol-3-yl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)C2=CC(=C3C(=C2C)C(CCS3(=O)=O)(C)C)C)OC(=O)C

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)C2=CC(=C3C(=C2C)C(CCS3(=O)=O)(C)C)C)OC(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-7-23-20(28-14(4)24)16(11-22-23)18(25)15-10-12(2)19-17(13(15)3)21(5,6)8-9-29(19,26)27/h10-11H,7-9H2,1-6H3