ethyl 4-[[[2-(5-methylthiophen-2-yl)azepan-1-yl]carbonylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[[2-(5-methylthiophen-2-yl)azepan-1-yl]carbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[[2-(5-methyl-2-thienyl)azepane-1-carbonyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[[2-(5-methyl-2-thiophenyl)-1-azepanyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-(5-methyl-2-thienyl)azepane-1-carbonyl]amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C22H34N2O3S MolecularWeight: 406.58196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CNC(=O)N2CCCCCC2C3=CC=C(S3)C

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CNC(=O)N2CCCCCC2C3=CC=C(S3)C

InChI

InChI=1S/C22H34N2O3S/c1-3-27-21(25)18-11-9-17(10-12-18)15-23-22(26)24-14-6-4-5-7-19(24)20-13-8-16(2)28-20/h8,13,17-19H,3-7,9-12,14-15H2,1-2H3,(H,23,26)