methyl 1-(2-phenylsulfanylpropanoylamino)cyclohexane-1-carboxylate

Systemtic Name: methyl 1-(2-phenylsulfanylpropanoylamino)cyclohexane-1-carboxylate Openeye Name: methyl 1-(2-phenylsulfanylpropanoylamino)cyclohexanecarboxylate CAS Name: 1-[[1-oxo-2-(phenylthio)propyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-phenylsulfanylpropanoylamino)cyclohexane-1-carboxylate Traditional Name: 1-[2-(phenylthio)propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C17H23NO3S/c1-13(22-14-9-5-3-6-10-14)15(19)18-17(16(20)21-2)11-7-4-8-12-17/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,18,19)