ethyl (1S,2S)-2-[[cyclohexyl(2-pyridin-4-ylsulfanylethanoyl)amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[cyclohexyl(2-pyridin-4-ylsulfanylethanoyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[cyclohexyl-[2-(4-pyridylsulfanyl)acetyl]amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[cyclohexyl-[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[cyclohexyl-(2-pyridin-4-ylsulfanylacetyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[cyclohexyl-[2-(4-pyridylthio)acetyl]amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(C2CCCCC2)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(C2CCCCC2)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C20H28N2O3S/c1-2-25-20(24)18-12-15(18)13-22(16-6-4-3-5-7-16)19(23)14-26-17-8-10-21-11-9-17/h8-11,15-16,18H,2-7,12-14H2,1H3/t15-,18+/m1/s1