tert-butyl 2-cyano-5-(2-sulfanylidenespiro[1H-indole-3,1'-cyclohexane]-5-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-5-(2-sulfanylidenespiro[1H-indole-3,1'-cyclohexane]-5-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-(2'-thioxospiro[cyclohexane-1,3'-indoline]-5'-yl)pyrrole-1-carboxylate CAS Name: 2-cyano-5-(2-sulfanylidene-5-spiro[1H-indole-3,1'-cyclohexane]yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-(2-sulfanylidenespiro[1H-indole-3,1'-cyclohexane]-5-yl)pyrrole-1-carboxylate Traditional Name: 2-cyano-5-(2'-thioxospiro[cyclohexane-1,3'-indoline]-5'-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC=C1C2=CC3=C(C=C2)NC(=S)C34CCCCC4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC=C1C2=CC3=C(C=C2)NC(=S)C34CCCCC4)C#N

InChI

InChI=1S/C23H25N3O2S/c1-22(2,3)28-21(27)26-16(14-24)8-10-19(26)15-7-9-18-17(13-15)23(20(29)25-18)11-5-4-6-12-23/h7-10,13H,4-6,11-12H2,1-3H3,(H,25,29)