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

Systemtic Name: ethyl 2-[1-[(2-thiophen-2-ylazepan-1-yl)carbonylamino]cyclohexyl]ethanoate Openeye Name: ethyl 2-[1-[[2-(2-thienyl)azepane-1-carbonyl]amino]cyclohexyl]acetate CAS Name: 2-[1-[[oxo-(2-thiophen-2-yl-1-azepanyl)methyl]amino]cyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(2-thiophen-2-ylazepane-1-carbonyl)amino]cyclohexyl]acetate Traditional Name: 2-[1-[[2-(2-thienyl)azepane-1-carbonyl]amino]cyclohexyl]acetic acid ethyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCCC1)NC(=O)N2CCCCCC2C3=CC=CS3

Isomeric SMILES

CCOC(=O)CC1(CCCCC1)NC(=O)N2CCCCCC2C3=CC=CS3

InChI

InChI=1S/C21H32N2O3S/c1-2-26-19(24)16-21(12-6-4-7-13-21)22-20(25)23-14-8-3-5-10-17(23)18-11-9-15-27-18/h9,11,15,17H,2-8,10,12-14,16H2,1H3,(H,22,25)