2-[methyl-[(E)-3-phenyl-5-[4-(sulfanylmethyl)phenyl]pent-2-en-4-ynyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[(E)-3-phenyl-5-[4-(sulfanylmethyl)phenyl]pent-2-en-4-ynyl]amino]ethanoic acid Openeye Name: 2-[methyl-[(E)-3-phenyl-5-[4-(sulfanylmethyl)phenyl]pent-2-en-4-ynyl]amino]acetic acid CAS Name: 2-[[(E)-5-[4-(mercaptomethyl)phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid IUPAC Name: 2-[methyl-[(E)-3-phenyl-5-[4-(sulfanylmethyl)phenyl]pent-2-en-4-ynyl]amino]acetic acid Traditional Name: 2-[[(E)-5-[4-(mercaptomethyl)phenyl]-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=C(C#CC1=CC=C(C=C1)CS)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CN(C/C=C(/C#CC1=CC=C(C=C1)CS)\C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C21H21NO2S/c1-22(15-21(23)24)14-13-20(19-5-3-2-4-6-19)12-11-17-7-9-18(16-25)10-8-17/h2-10,13,25H,14-16H2,1H3,(H,23,24)/b20-13-