2-[2-ethyl-4-[[(4Z)-4-methoxyimino-5,8-dimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbonyl]pyrazol-3-yl]oxy-1-phenyl-ethanone

Systemtic Name: 2-[2-ethyl-4-[[(4Z)-4-methoxyimino-5,8-dimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbonyl]pyrazol-3-yl]oxy-1-phenyl-ethanone Openeye Name: 2-[2-ethyl-4-[(4Z)-4-methoxyimino-5,8-dimethyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl]pyrazol-3-yl]oxy-1-phenyl-ethanone CAS Name: 2-[[2-ethyl-4-[[(4Z)-4-methoxyimino-5,8-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiopyran-6-yl]-oxomethyl]-3-pyrazolyl]oxy]-1-phenylethanone IUPAC Name: 2-[2-ethyl-4-[(4Z)-4-methoxyimino-5,8-dimethyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl]pyrazol-3-yl]oxy-1-phenylethanone Traditional Name: 2-[4-[(4Z)-1,1-diketo-5,8-dimethyl-4-methyloximino-2,3-dihydrothiochromene-6-carbonyl]-2-ethyl-pyrazol-3-yl]oxy-1-phenyl-ethanone Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)C2=CC(=C3C(=C2C)C(=NOC)CCS3(=O)=O)C)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)C2=CC(=C3C(=C2C)/C(=N\OC)/CCS3(=O)=O)C)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O6S/c1-5-29-26(35-15-22(30)18-9-7-6-8-10-18)20(14-27-29)24(31)19-13-16(2)25-23(17(19)3)21(28-34-4)11-12-36(25,32)33/h6-10,13-14H,5,11-12,15H2,1-4H3/b28-21-