3-(4-chlorophenyl)-2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-chlorophenyl)-2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]propanoic acid Openeye Name: 3-(4-chlorophenyl)-2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]propanoic acid CAS Name: 3-(4-chlorophenyl)-2-[[[4-ethoxy-1-(mercaptomethyl)cyclohexyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-chlorophenyl)-2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 3-(4-chlorophenyl)-2-[[4-ethoxy-1-(mercaptomethyl)cyclohexanecarbonyl]amino]propionic acid Formula: C19H26ClNO4S MolecularWeight: 399.93204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(CC1)(CS)C(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCOC1CCC(CC1)(CS)C(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C19H26ClNO4S/c1-2-25-15-7-9-19(12-26,10-8-15)18(24)21-16(17(22)23)11-13-3-5-14(20)6-4-13/h3-6,15-16,26H,2,7-12H2,1H3,(H,21,24)(H,22,23)