(E)-2-cyano-3-(5-iodanyl-4-methyl-thiophen-2-yl)but-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(5-iodanyl-4-methyl-thiophen-2-yl)but-2-enoic acid Openeye Name: (E)-2-cyano-3-(5-iodo-4-methyl-2-thienyl)but-2-enoic acid CAS Name: (E)-2-cyano-3-(5-iodo-4-methyl-2-thiophenyl)-2-butenoic acid IUPAC Name: (E)-2-cyano-3-(5-iodo-4-methylthiophen-2-yl)but-2-enoic acid Traditional Name: (E)-2-cyano-3-(5-iodo-4-methyl-2-thienyl)but-2-enoic acid Formula: C10H8INO2S MolecularWeight: 333.14549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=C(C#N)C(=O)O)C)I

Isomeric SMILES

CC1=C(SC(=C1)/C(=C(\C#N)/C(=O)O)/C)I

InChI

InChI=1S/C10H8INO2S/c1-5-3-8(15-9(5)11)6(2)7(4-12)10(13)14/h3H,1-2H3,(H,13,14)/b7-6+