tert-butyl N-[(6R)-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-6-yl]carbamate

Systemtic Name: tert-butyl N-[(6R)-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-6-yl]carbamate Openeye Name: tert-butyl N-[(6R)-5-oxo-2-(3-thienyl)-1,4-thiazepan-6-yl]carbamate CAS Name: N-[(6R)-5-oxo-2-(3-thiophenyl)-1,4-thiazepan-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(6R)-5-oxo-2-thiophen-3-yl-1,4-thiazepan-6-yl]carbamate Traditional Name: N-[(6R)-5-keto-2-(3-thienyl)-1,4-thiazepan-6-yl]carbamic acid tert-butyl ester Formula: C14H20N2O3S2 MolecularWeight: 328.4502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CSC(CNC1=O)C2=CSC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CSC(CNC1=O)C2=CSC=C2

InChI

InChI=1S/C14H20N2O3S2/c1-14(2,3)19-13(18)16-10-8-21-11(6-15-12(10)17)9-4-5-20-7-9/h4-5,7,10-11H,6,8H2,1-3H3,(H,15,17)(H,16,18)/t10-,11?/m0/s1