ethyl 4-[[(2-thiophen-2-ylazepan-1-yl)carbonylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(2-thiophen-2-ylazepan-1-yl)carbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[[2-(2-thienyl)azepane-1-carbonyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[oxo-(2-thiophen-2-yl-1-azepanyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2-thiophen-2-ylazepane-1-carbonyl)amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-(2-thienyl)azepane-1-carbonyl]amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CNC(=O)N2CCCCCC2C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CNC(=O)N2CCCCCC2C3=CC=CS3

InChI

InChI=1S/C21H32N2O3S/c1-2-26-20(24)17-11-9-16(10-12-17)15-22-21(25)23-13-5-3-4-7-18(23)19-8-6-14-27-19/h6,8,14,16-18H,2-5,7,9-13,15H2,1H3,(H,22,25)