ethyl 2-[1-[[2-(5-methylthiophen-2-yl)azepan-1-yl]carbonylamino]cyclohexyl]ethanoate

Systemtic Name: ethyl 2-[1-[[2-(5-methylthiophen-2-yl)azepan-1-yl]carbonylamino]cyclohexyl]ethanoate Openeye Name: ethyl 2-[1-[[2-(5-methyl-2-thienyl)azepane-1-carbonyl]amino]cyclohexyl]acetate CAS Name: 2-[1-[[[2-(5-methyl-2-thiophenyl)-1-azepanyl]-oxomethyl]amino]cyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino]cyclohexyl]acetate Traditional Name: 2-[1-[[2-(5-methyl-2-thienyl)azepane-1-carbonyl]amino]cyclohexyl]acetic acid ethyl ester Formula: C22H34N2O3S MolecularWeight: 406.58196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCCC1)NC(=O)N2CCCCCC2C3=CC=C(S3)C

Isomeric SMILES

CCOC(=O)CC1(CCCCC1)NC(=O)N2CCCCCC2C3=CC=C(S3)C

InChI

InChI=1S/C22H34N2O3S/c1-3-27-20(25)16-22(13-7-5-8-14-22)23-21(26)24-15-9-4-6-10-18(24)19-12-11-17(2)28-19/h11-12,18H,3-10,13-16H2,1-2H3,(H,23,26)