2-[[(Z)-3-[4-(3-cyanophenyl)phenyl]-3-thiophen-3-yl-prop-2-enyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[(Z)-3-[4-(3-cyanophenyl)phenyl]-3-thiophen-3-yl-prop-2-enyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(Z)-3-[4-(3-cyanophenyl)phenyl]-3-(3-thienyl)allyl]-methyl-amino]acetic acid CAS Name: 2-[[(Z)-3-[4-(3-cyanophenyl)phenyl]-3-(3-thiophenyl)prop-2-enyl]-methylamino]acetic acid IUPAC Name: 2-[[(Z)-3-[4-(3-cyanophenyl)phenyl]-3-thiophen-3-ylprop-2-enyl]-methylamino]acetic acid Traditional Name: 2-[[(Z)-3-[4-(3-cyanophenyl)phenyl]-3-(3-thienyl)allyl]-methyl-amino]acetic acid Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O2S/c1-25(15-23(26)27)11-9-22(21-10-12-28-16-21)19-7-5-18(6-8-19)20-4-2-3-17(13-20)14-24/h2-10,12-13,16H,11,15H2,1H3,(H,26,27)/b22-9-