4-cyano-4-thiophen-3-yl-heptanedioic acid

Systemtic Name: 4-cyano-4-thiophen-3-yl-heptanedioic acid Openeye Name: 4-cyano-4-(3-thienyl)heptanedioic acid CAS Name: 4-cyano-4-(3-thiophenyl)heptanedioic acid IUPAC Name: 4-cyano-4-thiophen-3-ylheptanedioic acid Traditional Name: 4-cyano-4-(3-thienyl)pimelic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c13-8-12(4-1-10(14)15,5-2-11(16)17)9-3-6-18-7-9/h3,6-7H,1-2,4-5H2,(H,14,15)(H,16,17)