(E)-3-(3-butoxyphenyl)-2-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-3-(3-butoxyphenyl)-2-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-3-(3-butoxyphenyl)-2-(2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(3-butoxyphenyl)-2-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-3-(3-butoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-3-(3-butoxyphenyl)-2-(2-thienyl)acrylic acid Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C=C(C2=CC=CS2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C=C(/C2=CC=CS2)\C(=O)O

InChI

InChI=1S/C17H18O3S/c1-2-3-9-20-14-7-4-6-13(11-14)12-15(17(18)19)16-8-5-10-21-16/h4-8,10-12H,2-3,9H2,1H3,(H,18,19)/b15-12-