4-cyano-4-ethoxycarbothioylsulfanyl-pentanoic acid

Systemtic Name: 4-cyano-4-ethoxycarbothioylsulfanyl-pentanoic acid Openeye Name: 4-cyano-4-ethoxycarbothioylsulfanyl-pentanoic acid CAS Name: 4-cyano-4-[[ethoxy(sulfanylidene)methyl]thio]pentanoic acid IUPAC Name: 4-cyano-4-ethoxycarbothioylsulfanylpentanoic acid Traditional Name: 4-cyano-4-(ethoxycarbothioylthio)valeric acid Formula: C9H13NO3S2 MolecularWeight: 247.33442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(C)(CCC(=O)O)C#N

Isomeric SMILES

CCOC(=S)SC(C)(CCC(=O)O)C#N

InChI

InChI=1S/C9H13NO3S2/c1-3-13-8(14)15-9(2,6-10)5-4-7(11)12/h3-5H2,1-2H3,(H,11,12)