(E)-3-[4-(2-naphthalen-2-ylethoxy)-5-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-naphthalen-2-ylethoxy)-5-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-(2-naphthyl)ethoxy]-5-(pyrazol-1-ylmethyl)-3-thienyl]prop-2-enoic acid CAS Name: (E)-3-[4-[2-(2-naphthalenyl)ethoxy]-5-(1-pyrazolylmethyl)-3-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-naphthalen-2-ylethoxy)-5-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-(2-naphthyl)ethoxy]-5-(pyrazol-1-ylmethyl)-3-thienyl]acrylic acid Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(SC=C3C=CC(=O)O)CN4C=CC=N4

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(SC=C3/C=C/C(=O)O)CN4C=CC=N4

InChI

InChI=1S/C23H20N2O3S/c26-22(27)9-8-20-16-29-21(15-25-12-3-11-24-25)23(20)28-13-10-17-6-7-18-4-1-2-5-19(18)14-17/h1-9,11-12,14,16H,10,13,15H2,(H,26,27)/b9-8+