tert-butyl (NE)-N-[azanyl-[4-[(1R)-2-oxidanyl-1-phenyl-ethoxy]-1-benzothiophen-2-yl]methylidene]carbamate

Systemtic Name: tert-butyl (NE)-N-[azanyl-[4-[(1R)-2-oxidanyl-1-phenyl-ethoxy]-1-benzothiophen-2-yl]methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[amino-[4-[(1R)-2-hydroxy-1-phenyl-ethoxy]benzothiophen-2-yl]methylene]carbamate CAS Name: (NE)-N-[amino-[4-[(1R)-2-hydroxy-1-phenylethoxy]-1-benzothiophen-2-yl]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-[amino-[4-[(1R)-2-hydroxy-1-phenylethoxy]-1-benzothiophen-2-yl]methylidene]carbamate Traditional Name: (NE)-N-[amino-[4-[(1R)-2-hydroxy-1-phenyl-ethoxy]benzothiophen-2-yl]methylene]carbamic acid tert-butyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=C(C1=CC2=C(C=CC=C2S1)OC(CO)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)/N=C(\C1=CC2=C(C=CC=C2S1)O[C@@H](CO)C3=CC=CC=C3)/N

InChI

InChI=1S/C22H24N2O4S/c1-22(2,3)28-21(26)24-20(23)19-12-15-16(10-7-11-18(15)29-19)27-17(13-25)14-8-5-4-6-9-14/h4-12,17,25H,13H2,1-3H3,(H2,23,24,26)/t17-/m0/s1