2-[methyl-[(E)-5-(4-propan-2-ylphenyl)-1-thiophen-3-yl-pent-2-en-4-ynyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[(E)-5-(4-propan-2-ylphenyl)-1-thiophen-3-yl-pent-2-en-4-ynyl]amino]ethanoic acid Openeye Name: 2-[[(E)-5-(4-isopropylphenyl)-1-(3-thienyl)pent-2-en-4-ynyl]-methyl-amino]acetic acid CAS Name: 2-[methyl-[(E)-5-(4-propan-2-ylphenyl)-1-(3-thiophenyl)pent-2-en-4-ynyl]amino]acetic acid IUPAC Name: 2-[methyl-[(E)-5-(4-propan-2-ylphenyl)-1-thiophen-3-ylpent-2-en-4-ynyl]amino]acetic acid Traditional Name: 2-[methyl-[(E)-5-p-cumenyl-1-(3-thienyl)pent-2-en-4-ynyl]amino]acetic acid Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C#CC=CC(C2=CSC=C2)N(C)CC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C#C/C=C/C(C2=CSC=C2)N(C)CC(=O)O

InChI

InChI=1S/C21H23NO2S/c1-16(2)18-10-8-17(9-11-18)6-4-5-7-20(19-12-13-25-15-19)22(3)14-21(23)24/h5,7-13,15-16,20H,14H2,1-3H3,(H,23,24)/b7-5+