tert-butyl 2-[2-methoxy-2-methyl-1-(methylsulfinylamino)pentyl]-5-oxidanylidene-3-[(E)-prop-1-enyl]-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[2-methoxy-2-methyl-1-(methylsulfinylamino)pentyl]-5-oxidanylidene-3-[(E)-prop-1-enyl]-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[1-(methanesulfinamido)-2-methoxy-2-methyl-pentyl]-5-oxo-3-[(E)-prop-1-enyl]-2H-pyrrole-1-carboxylate CAS Name: 2-[1-(methanesulfinamido)-2-methoxy-2-methylpentyl]-5-oxo-3-[(E)-prop-1-enyl]-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-(methanesulfinamido)-2-methoxy-2-methylpentyl]-5-oxo-3-[(E)-prop-1-enyl]-2H-pyrrole-1-carboxylate Traditional Name: 5-keto-2-[1-(methanesulfinamido)-2-methoxy-2-methyl-pentyl]-3-[(E)-prop-1-enyl]-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C20H34N2O5S MolecularWeight: 414.55936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(C1C(=CC(=O)N1C(=O)OC(C)(C)C)C=CC)NS(=O)C)OC

Isomeric SMILES

CCCC(C)(C(C1C(=CC(=O)N1C(=O)OC(C)(C)C)/C=C/C)NS(=O)C)OC

InChI

InChI=1S/C20H34N2O5S/c1-9-11-14-13-15(23)22(18(24)27-19(3,4)5)16(14)17(21-28(8)25)20(6,26-7)12-10-2/h9,11,13,16-17,21H,10,12H2,1-8H3/b11-9+