tert-butyl 2-cyano-5-(4-sulfanylidenespiro[cyclohexane-3,3'-indole]-1-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-5-(4-sulfanylidenespiro[cyclohexane-3,3'-indole]-1-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-(4-thioxospiro[cyclohexane-3,3'-indole]-1-yl)pyrrole-1-carboxylate CAS Name: 2-cyano-5-(4-sulfanylidene-1-spiro[cyclohexane-3,3'-indole]yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-(4-sulfanylidenespiro[cyclohexane-3,3'-indole]-1-yl)pyrrole-1-carboxylate Traditional Name: 2-cyano-5-(4-thioxospiro[cyclohexane-3,3'-indole]-1-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C23H23N3O2S MolecularWeight: 405.51262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC=C1C2CCC(=S)C3(C2)C=NC4=CC=CC=C34)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC=C1C2CCC(=S)C3(C2)C=NC4=CC=CC=C34)C#N

InChI

InChI=1S/C23H23N3O2S/c1-22(2,3)28-21(27)26-16(13-24)9-10-19(26)15-8-11-20(29)23(12-15)14-25-18-7-5-4-6-17(18)23/h4-7,9-10,14-15H,8,11-12H2,1-3H3