4-cyano-7-methoxy-7-oxidanylidene-4-thiophen-2-yl-heptanoic acid

Systemtic Name: 4-cyano-7-methoxy-7-oxidanylidene-4-thiophen-2-yl-heptanoic acid Openeye Name: 4-cyano-7-methoxy-7-oxo-4-(2-thienyl)heptanoic acid CAS Name: 4-cyano-7-methoxy-7-oxo-4-thiophen-2-ylheptanoic acid IUPAC Name: 4-cyano-7-methoxy-7-oxo-4-thiophen-2-ylheptanoic acid Traditional Name: 4-cyano-7-keto-7-methoxy-4-(2-thienyl)enanthic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCC(=O)O)(C#N)C1=CC=CS1

Isomeric SMILES

COC(=O)CCC(CCC(=O)O)(C#N)C1=CC=CS1

InChI

InChI=1S/C13H15NO4S/c1-18-12(17)5-7-13(9-14,6-4-11(15)16)10-3-2-8-19-10/h2-3,8H,4-7H2,1H3,(H,15,16)