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

Systemtic Name: 2-[methyl-[(E)-3-phenyl-5-(4-thiophen-3-ylphenyl)pent-2-en-4-ynyl]amino]ethanoic acid Openeye Name: 2-[methyl-[(E)-3-phenyl-5-[4-(3-thienyl)phenyl]pent-2-en-4-ynyl]amino]acetic acid CAS Name: 2-[methyl-[(E)-3-phenyl-5-[4-(3-thiophenyl)phenyl]pent-2-en-4-ynyl]amino]acetic acid IUPAC Name: 2-[methyl-[(E)-3-phenyl-5-(4-thiophen-3-ylphenyl)pent-2-en-4-ynyl]amino]acetic acid Traditional Name: 2-[methyl-[(E)-3-phenyl-5-[4-(3-thienyl)phenyl]pent-2-en-4-ynyl]amino]acetic acid Formula: C24H21NO2S MolecularWeight: 387.49404

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=C(C#CC1=CC=C(C=C1)C2=CSC=C2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN(C/C=C(/C#CC1=CC=C(C=C1)C2=CSC=C2)\C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C24H21NO2S/c1-25(17-24(26)27)15-13-22(20-5-3-2-4-6-20)12-9-19-7-10-21(11-8-19)23-14-16-28-18-23/h2-8,10-11,13-14,16,18H,15,17H2,1H3,(H,26,27)/b22-13-