1-(3-phenylsulfanylpropanoylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 1-(3-phenylsulfanylpropanoylamino)cyclohexane-1-carboxylic acid Openeye Name: 1-(3-phenylsulfanylpropanoylamino)cyclohexanecarboxylic acid CAS Name: 1-[[1-oxo-3-(phenylthio)propyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-(3-phenylsulfanylpropanoylamino)cyclohexane-1-carboxylic acid Traditional Name: 1-[3-(phenylthio)propanoylamino]cyclohexanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3S/c18-14(9-12-21-13-7-3-1-4-8-13)17-16(15(19)20)10-5-2-6-11-16/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,18)(H,19,20)