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

Systemtic Name: 2-[methyl-[(Z)-5-(4-propan-2-ylphenyl)-3-thiophen-3-yl-pent-2-en-4-ynyl]amino]ethanoic acid Openeye Name: 2-[[(Z)-5-(4-isopropylphenyl)-3-(3-thienyl)pent-2-en-4-ynyl]-methyl-amino]acetic acid CAS Name: 2-[methyl-[(Z)-5-(4-propan-2-ylphenyl)-3-(3-thiophenyl)pent-2-en-4-ynyl]amino]acetic acid IUPAC Name: 2-[methyl-[(Z)-5-(4-propan-2-ylphenyl)-3-thiophen-3-ylpent-2-en-4-ynyl]amino]acetic acid Traditional Name: 2-[methyl-[(Z)-5-p-cumenyl-3-(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(=CCN(C)CC(=O)O)C2=CSC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2S/c1-16(2)18-7-4-17(5-8-18)6-9-19(20-11-13-25-15-20)10-12-22(3)14-21(23)24/h4-5,7-8,10-11,13,15-16H,12,14H2,1-3H3,(H,23,24)/b19-10-