tert-butyl 2-[2-methoxy-2-methyl-1-(phenylsulfanylamino)pentyl]-5-oxidanylidene-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[2-methoxy-2-methyl-1-(phenylsulfanylamino)pentyl]-5-oxidanylidene-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[2-methoxy-2-methyl-1-(phenylsulfanylamino)pentyl]-5-oxo-2H-pyrrole-1-carboxylate CAS Name: 2-[2-methoxy-2-methyl-1-[(phenylthio)amino]pentyl]-5-oxo-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-methoxy-2-methyl-1-(phenylsulfanylamino)pentyl]-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: 2-keto-5-[2-methoxy-2-methyl-1-[(phenylthio)amino]pentyl]-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(C1C=CC(=O)N1C(=O)OC(C)(C)C)NSC2=CC=CC=C2)OC

Isomeric SMILES

CCCC(C)(C(C1C=CC(=O)N1C(=O)OC(C)(C)C)NSC2=CC=CC=C2)OC

InChI

InChI=1S/C22H32N2O4S/c1-7-15-22(5,27-6)19(23-29-16-11-9-8-10-12-16)17-13-14-18(25)24(17)20(26)28-21(2,3)4/h8-14,17,19,23H,7,15H2,1-6H3