5-[1-(4,4-dimethyl-3-oxidanylidene-2-phenylsulfanyl-cyclopenten-1-yl)ethyl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde

Systemtic Name: 5-[1-(4,4-dimethyl-3-oxidanylidene-2-phenylsulfanyl-cyclopenten-1-yl)ethyl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde Openeye Name: 5-[1-(4,4-dimethyl-3-oxo-2-phenylsulfanyl-cyclopenten-1-yl)ethyl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde CAS Name: 5-[1-[4,4-dimethyl-3-oxo-2-(phenylthio)-1-cyclopentenyl]ethyl]-3,4-dimethyl-1H-pyrrole-2-carboxaldehyde IUPAC Name: 5-[1-(4,4-dimethyl-3-oxo-2-phenylsulfanylcyclopenten-1-yl)ethyl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde Traditional Name: 5-[1-[3-keto-4,4-dimethyl-2-(phenylthio)cyclopenten-1-yl]ethyl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde Formula: C22H25NO2S MolecularWeight: 367.5044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)C(C)C2=C(C(=O)C(C2)(C)C)SC3=CC=CC=C3)C=O

Isomeric SMILES

CC1=C(NC(=C1C)C(C)C2=C(C(=O)C(C2)(C)C)SC3=CC=CC=C3)C=O

InChI

InChI=1S/C22H25NO2S/c1-13-14(2)19(23-18(13)12-24)15(3)17-11-22(4,5)21(25)20(17)26-16-9-7-6-8-10-16/h6-10,12,15,23H,11H2,1-5H3