2-(2-carboxyethylsulfanylmethyl)-2-prop-2-enyl-pent-4-enoic acid

Systemtic Name: 2-(2-carboxyethylsulfanylmethyl)-2-prop-2-enyl-pent-4-enoic acid Openeye Name: 2-allyl-2-(2-carboxyethylsulfanylmethyl)pent-4-enoic acid CAS Name: 2-[(2-carboxyethylthio)methyl]-2-prop-2-enyl-4-pentenoic acid IUPAC Name: 2-(2-carboxyethylsulfanylmethyl)-2-prop-2-enylpent-4-enoic acid Traditional Name: 2-allyl-2-[(2-carboxyethylthio)methyl]pent-4-enoic acid Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(CSCCC(=O)O)C(=O)O

Isomeric SMILES

C=CCC(CC=C)(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C12H18O4S/c1-3-6-12(7-4-2,11(15)16)9-17-8-5-10(13)14/h3-4H,1-2,5-9H2,(H,13,14)(H,15,16)