S-tert-butyl (2E)-2-(5-cyano-4,4,5-trimethyl-pyrrolidin-2-ylidene)-2-(3,4-dimethyl-5-oxidanylidene-pyrrol-2-yl)ethanethioate

Systemtic Name: S-tert-butyl (2E)-2-(5-cyano-4,4,5-trimethyl-pyrrolidin-2-ylidene)-2-(3,4-dimethyl-5-oxidanylidene-pyrrol-2-yl)ethanethioate Openeye Name: S-tert-butyl (2E)-2-(5-cyano-4,4,5-trimethyl-pyrrolidin-2-ylidene)-2-(3,4-dimethyl-5-oxo-pyrrol-2-yl)ethanethioate CAS Name: (2E)-2-(5-cyano-4,4,5-trimethyl-2-pyrrolidinylidene)-2-(3,4-dimethyl-5-oxo-2-pyrrolyl)ethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2E)-2-(5-cyano-4,4,5-trimethylpyrrolidin-2-ylidene)-2-(3,4-dimethyl-5-oxopyrrol-2-yl)ethanethioate Traditional Name: (2E)-2-(5-cyano-4,4,5-trimethyl-pyrrolidin-2-ylidene)-2-(5-keto-3,4-dimethyl-pyrrol-2-yl)ethanethioic acid S-tert-butyl ester Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C1C(=C2CC(C(N2)(C)C#N)(C)C)C(=O)SC(C)(C)C)C

Isomeric SMILES

CC1=C(C(=O)N=C1/C(=C\2/CC(C(N2)(C)C#N)(C)C)/C(=O)SC(C)(C)C)C

InChI

InChI=1S/C20H27N3O2S/c1-11-12(2)16(24)22-15(11)14(17(25)26-18(3,4)5)13-9-19(6,7)20(8,10-21)23-13/h23H,9H2,1-8H3/b14-13+