tert-butyl N-[(3R)-2-oxidanylidene-6-thiophen-3-yl-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3R)-2-oxidanylidene-6-thiophen-3-yl-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[(3R)-2-oxo-6-(3-thienyl)azepan-3-yl]carbamate CAS Name: N-[(3R)-2-oxo-6-(3-thiophenyl)-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R)-2-oxo-6-thiophen-3-ylazepan-3-yl]carbamate Traditional Name: N-[(3R)-2-keto-6-(3-thienyl)azepan-3-yl]carbamic acid tert-butyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CNC1=O)C2=CSC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-15(2,3)20-14(19)17-12-5-4-10(8-16-13(12)18)11-6-7-21-9-11/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,16,18)(H,17,19)/t10?,12-/m1/s1