5-[5,5-dimethyl-3,6-bis(oxidanylidene)-7-phenylsulfanyl-heptan-2-yl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde

Systemtic Name: 5-[5,5-dimethyl-3,6-bis(oxidanylidene)-7-phenylsulfanyl-heptan-2-yl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde Openeye Name: 3,4-dimethyl-5-(1,4,4-trimethyl-2,5-dioxo-6-phenylsulfanyl-hexyl)-1H-pyrrole-2-carbaldehyde CAS Name: 5-[5,5-dimethyl-3,6-dioxo-7-(phenylthio)heptan-2-yl]-3,4-dimethyl-1H-pyrrole-2-carboxaldehyde IUPAC Name: 5-(5,5-dimethyl-3,6-dioxo-7-phenylsulfanylheptan-2-yl)-3,4-dimethyl-1H-pyrrole-2-carbaldehyde Traditional Name: 5-[2,5-diketo-1,4,4-trimethyl-6-(phenylthio)hexyl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)C(C)C(=O)CC(C)(C)C(=O)CSC2=CC=CC=C2)C=O

Isomeric SMILES

CC1=C(NC(=C1C)C(C)C(=O)CC(C)(C)C(=O)CSC2=CC=CC=C2)C=O

InChI

InChI=1S/C22H27NO3S/c1-14-15(2)21(23-18(14)12-24)16(3)19(25)11-22(4,5)20(26)13-27-17-9-7-6-8-10-17/h6-10,12,16,23H,11,13H2,1-5H3