5,5-dimethyl-2-[(2-methyl-1H-indol-3-yl)-thiophen-2-yl-methyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(2-methyl-1H-indol-3-yl)-thiophen-2-yl-methyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(2-methyl-1H-indol-3-yl)-(2-thienyl)methyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(2-methyl-1H-indol-3-yl)-(2-thienyl)methyl]cyclohexane-1,3-quinone Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3C(=O)CC(CC3=O)(C)C)C4=CC=CS4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C3C(=O)CC(CC3=O)(C)C)C4=CC=CS4

InChI

InChI=1S/C22H23NO2S/c1-13-19(14-7-4-5-8-15(14)23-13)21(18-9-6-10-26-18)20-16(24)11-22(2,3)12-17(20)25/h4-10,20-21,23H,11-12H2,1-3H3