methyl 2-[(2-thiophen-2-ylazepan-1-yl)carbonylamino]ethanoate

Systemtic Name: methyl 2-[(2-thiophen-2-ylazepan-1-yl)carbonylamino]ethanoate Openeye Name: methyl 2-[[2-(2-thienyl)azepane-1-carbonyl]amino]acetate CAS Name: 2-[[oxo-(2-thiophen-2-yl-1-azepanyl)methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-thiophen-2-ylazepane-1-carbonyl)amino]acetate Traditional Name: 2-[[2-(2-thienyl)azepane-1-carbonyl]amino]acetic acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)N1CCCCCC1C2=CC=CS2

Isomeric SMILES

COC(=O)CNC(=O)N1CCCCCC1C2=CC=CS2

InChI

InChI=1S/C14H20N2O3S/c1-19-13(17)10-15-14(18)16-8-4-2-3-6-11(16)12-7-5-9-20-12/h5,7,9,11H,2-4,6,8,10H2,1H3,(H,15,18)