2-[(4-ethoxycarbonylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(4-ethoxycarbonylphenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(4-ethoxycarbonylphenyl)methylsulfanyl]benzoic acid CAS Name: 2-[(4-ethoxycarbonylphenyl)methylthio]benzoic acid IUPAC Name: 2-[(4-ethoxycarbonylphenyl)methylsulfanyl]benzoic acid Traditional Name: 2-[(4-carbethoxybenzyl)thio]benzoic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H16O4S/c1-2-21-17(20)13-9-7-12(8-10-13)11-22-15-6-4-3-5-14(15)16(18)19/h3-10H,2,11H2,1H3,(H,18,19)