2-(3-ethoxycarbonylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanoic acid

Systemtic Name: 2-(3-ethoxycarbonylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanoic acid Openeye Name: 2-(3-ethoxycarbonyl-1-piperidyl)-2-(4-methylsulfanylphenyl)acetic acid CAS Name: 2-(3-ethoxycarbonyl-1-piperidinyl)-2-[4-(methylthio)phenyl]acetic acid IUPAC Name: 2-(3-ethoxycarbonylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)acetic acid Traditional Name: 2-(3-carbethoxypiperidino)-2-[4-(methylthio)phenyl]acetic acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C2=CC=C(C=C2)SC)C(=O)O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(C2=CC=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C17H23NO4S/c1-3-22-17(21)13-5-4-10-18(11-13)15(16(19)20)12-6-8-14(23-2)9-7-12/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,19,20)