tert-butyl 2-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]hept-2-ynyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]hept-2-ynyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]hept-2-ynyl]pyrrole-1-carboxylate CAS Name: 2-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]hept-2-ynyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]hept-2-ynyl]pyrrole-1-carboxylate Traditional Name: 2-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]hept-2-ynyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C1=CC=CN1C(=O)OC(C)(C)C)NS(=O)C(C)(C)C

Isomeric SMILES

CCCCC#C[C@@H](C1=CC=CN1C(=O)OC(C)(C)C)N[S@](=O)C(C)(C)C

InChI

InChI=1S/C20H32N2O3S/c1-8-9-10-11-13-16(21-26(24)20(5,6)7)17-14-12-15-22(17)18(23)25-19(2,3)4/h12,14-16,21H,8-10H2,1-7H3/t16-,26+/m0/s1