2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CC3=C(CC(CC3=O)(C)C)O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CC3=C(CC(CC3=O)(C)C)O

InChI

InChI=1S/C21H25NO3S/c1-13-8-16(14(2)22(13)12-15-6-5-7-26-15)18(23)9-17-19(24)10-21(3,4)11-20(17)25/h5-8,24H,9-12H2,1-4H3