1-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: 1-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate Openeye Name: 1-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-1-cyclohexanecarboxylate IUPAC Name: 1-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]cyclohexanecarboxylate Formula: C19H24NO4S- MolecularWeight: 362.46316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2(CCCCC2)C(=O)[O-]

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2(CCCCC2)C(=O)[O-]

InChI

InChI=1S/C19H25NO4S/c1-14(21)25-13-16(12-15-8-4-2-5-9-15)17(22)20-19(18(23)24)10-6-3-7-11-19/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3,(H,20,22)(H,23,24)/p-1