(2R)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-[(2S)-2-ethylhexyl]propanamide

Systemtic Name: (2R)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-[(2S)-2-ethylhexyl]propanamide Openeye Name: (2R)-2-acetamido-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-[(2S)-2-ethylhexyl]propanamide CAS Name: (2R)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-[(2S)-2-ethylhexyl]propanamide IUPAC Name: (2R)-2-acetamido-3-(3-chloro-4-methylphenyl)sulfanyl-N-[(2S)-2-ethylhexyl]propanamide Traditional Name: (2R)-2-acetamido-3-[(3-chloro-4-methyl-phenyl)thio]-N-[(2S)-2-ethylhexyl]propionamide Formula: C20H31ClN2O2S MolecularWeight: 398.99034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C(CSC1=CC(=C(C=C1)C)Cl)NC(=O)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)[C@H](CSC1=CC(=C(C=C1)C)Cl)NC(=O)C

InChI

InChI=1S/C20H31ClN2O2S/c1-5-7-8-16(6-2)12-22-20(25)19(23-15(4)24)13-26-17-10-9-14(3)18(21)11-17/h9-11,16,19H,5-8,12-13H2,1-4H3,(H,22,25)(H,23,24)/t16-,19-/m0/s1