4-cyano-4-thiophen-3-yl-heptanedioate

Systemtic Name: 4-cyano-4-thiophen-3-yl-heptanedioate Openeye Name: 4-cyano-4-(3-thienyl)heptanedioate CAS Name: 4-cyano-4-(3-thiophenyl)heptanedioate IUPAC Name: 4-cyano-4-thiophen-3-ylheptanedioate Traditional Name: 4-cyano-4-(3-thienyl)pimelate Formula: C12H11NO4S-2 MolecularWeight: 265.28504

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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)/p-2