2-[(3-methoxycarbonylphenyl)methyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[(3-methoxycarbonylphenyl)methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[(3-methoxycarbonylphenyl)methyl]-5-sulfanyl-pentanoic acid CAS Name: 5-mercapto-2-[(3-methoxycarbonylphenyl)methyl]pentanoic acid IUPAC Name: 2-[(3-methoxycarbonylphenyl)methyl]-5-sulfanylpentanoic acid Traditional Name: 2-(3-carbomethoxybenzyl)-5-mercapto-valeric acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CC(CCCS)C(=O)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC(CCCS)C(=O)O

InChI

InChI=1S/C14H18O4S/c1-18-14(17)12-5-2-4-10(9-12)8-11(13(15)16)6-3-7-19/h2,4-5,9,11,19H,3,6-8H2,1H3,(H,15,16)