(E)-3-ethoxycarbonyl-6-thiophen-3-yl-hex-3-en-5-ynoic acid

Systemtic Name: (E)-3-ethoxycarbonyl-6-thiophen-3-yl-hex-3-en-5-ynoic acid Openeye Name: (E)-3-ethoxycarbonyl-6-(3-thienyl)hex-3-en-5-ynoic acid CAS Name: (E)-3-ethoxycarbonyl-6-(3-thiophenyl)hex-3-en-5-ynoic acid IUPAC Name: (E)-3-ethoxycarbonyl-6-thiophen-3-ylhex-3-en-5-ynoic acid Traditional Name: (E)-3-carbethoxy-6-(3-thienyl)hex-3-en-5-ynoic acid Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC#CC1=CSC=C1)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/C#CC1=CSC=C1)/CC(=O)O

InChI

InChI=1S/C13H12O4S/c1-2-17-13(16)11(8-12(14)15)5-3-4-10-6-7-18-9-10/h5-7,9H,2,8H2,1H3,(H,14,15)/b11-5+