methyl 1-(3-phenylsulfanylpropanoylamino)cyclohexane-1-carboxylate

Systemtic Name: methyl 1-(3-phenylsulfanylpropanoylamino)cyclohexane-1-carboxylate Openeye Name: methyl 1-(3-phenylsulfanylpropanoylamino)cyclohexanecarboxylate CAS Name: 1-[[1-oxo-3-(phenylthio)propyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-phenylsulfanylpropanoylamino)cyclohexane-1-carboxylate Traditional Name: 1-[3-(phenylthio)propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C17H23NO3S/c1-21-16(20)17(11-6-3-7-12-17)18-15(19)10-13-22-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,18,19)