tert-butyl (2E)-2-(3,4-dimethyl-5-sulfanylidene-pyrrol-2-ylidene)ethanoate

Systemtic Name: tert-butyl (2E)-2-(3,4-dimethyl-5-sulfanylidene-pyrrol-2-ylidene)ethanoate Openeye Name: tert-butyl (2E)-2-(3,4-dimethyl-5-thioxo-pyrrol-2-ylidene)acetate CAS Name: (2E)-2-(3,4-dimethyl-5-sulfanylidene-2-pyrrolylidene)acetic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-(3,4-dimethyl-5-sulfanylidenepyrrol-2-ylidene)acetate Traditional Name: (2E)-2-(3,4-dimethyl-5-thioxo-3-pyrrolin-2-ylidene)acetic acid tert-butyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)NC1=CC(=O)OC(C)(C)C)C

Isomeric SMILES

CC\1=C(C(=S)N/C1=C/C(=O)OC(C)(C)C)C

InChI

InChI=1S/C12H17NO2S/c1-7-8(2)11(16)13-9(7)6-10(14)15-12(3,4)5/h6H,1-5H3,(H,13,16)/b9-6+