2-[2-[(E)-2-cyano-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-2-cyano-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-2-cyano-3-oxo-3-(2-thienyl)prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-2-cyano-3-keto-3-(2-thienyl)prop-1-enyl]phenoxy]acetic acid Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C(=O)C2=CC=CS2)OCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)C2=CC=CS2)OCC(=O)O

InChI

InChI=1S/C16H11NO4S/c17-9-12(16(20)14-6-3-7-22-14)8-11-4-1-2-5-13(11)21-10-15(18)19/h1-8H,10H2,(H,18,19)/b12-8+