3-(3-cyanothiophen-2-yl)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(3-cyanothiophen-2-yl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(3-cyano-2-thienyl)-3-oxo-propanoic acid CAS Name: 3-(3-cyano-2-thiophenyl)-3-oxopropanoic acid IUPAC Name: 3-(3-cyanothiophen-2-yl)-3-oxopropanoic acid Traditional Name: 3-(3-cyano-2-thienyl)-3-keto-propionic acid Formula: C8H5NO3S MolecularWeight: 195.1952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1C#N)C(=O)CC(=O)O

Isomeric SMILES

C1=CSC(=C1C#N)C(=O)CC(=O)O

InChI

InChI=1S/C8H5NO3S/c9-4-5-1-2-13-8(5)6(10)3-7(11)12/h1-2H,3H2,(H,11,12)