tert-butyl N-[2-oxidanylidene-1-(2-oxidanylidene-2-thiophen-3-yl-ethyl)azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[2-oxidanylidene-1-(2-oxidanylidene-2-thiophen-3-yl-ethyl)azepan-3-yl]carbamate Openeye Name: tert-butyl N-[2-oxo-1-[2-oxo-2-(3-thienyl)ethyl]azepan-3-yl]carbamate CAS Name: N-[2-oxo-1-[2-oxo-2-(3-thiophenyl)ethyl]-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-oxo-1-(2-oxo-2-thiophen-3-ylethyl)azepan-3-yl]carbamate Traditional Name: N-[2-keto-1-[2-keto-2-(3-thienyl)ethyl]azepan-3-yl]carbamic acid tert-butyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)CC(=O)C2=CSC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCCN(C1=O)CC(=O)C2=CSC=C2

InChI

InChI=1S/C17H24N2O4S/c1-17(2,3)23-16(22)18-13-6-4-5-8-19(15(13)21)10-14(20)12-7-9-24-11-12/h7,9,11,13H,4-6,8,10H2,1-3H3,(H,18,22)