tert-butyl 4-(cyanomethyl)-2-(1,3-dithiolan-2-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 4-(cyanomethyl)-2-(1,3-dithiolan-2-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 4-(cyanomethyl)-2-(1,3-dithiolan-2-yl)pyrrole-1-carboxylate CAS Name: 4-(cyanomethyl)-2-(1,3-dithiolan-2-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(cyanomethyl)-2-(1,3-dithiolan-2-yl)pyrrole-1-carboxylate Traditional Name: 4-(cyanomethyl)-2-(1,3-dithiolan-2-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C14H18N2O2S2 MolecularWeight: 310.43492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C=C1C2SCCS2)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C=C1C2SCCS2)CC#N

InChI

InChI=1S/C14H18N2O2S2/c1-14(2,3)18-13(17)16-9-10(4-5-15)8-11(16)12-19-6-7-20-12/h8-9,12H,4,6-7H2,1-3H3