4-[2-(4-ethoxycarbonyl-5-sulfanylidene-pyrrolidin-3-yl)ethyl]benzoic acid

Systemtic Name: 4-[2-(4-ethoxycarbonyl-5-sulfanylidene-pyrrolidin-3-yl)ethyl]benzoic acid Openeye Name: 4-[2-(4-ethoxycarbonyl-5-thioxo-pyrrolidin-3-yl)ethyl]benzoic acid CAS Name: 4-[2-(4-ethoxycarbonyl-5-sulfanylidene-3-pyrrolidinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(4-ethoxycarbonyl-5-sulfanylidenepyrrolidin-3-yl)ethyl]benzoic acid Traditional Name: 4-[2-(4-carbethoxy-5-thioxo-pyrrolidin-3-yl)ethyl]benzoic acid Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CNC1=S)CCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1C(CNC1=S)CCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H19NO4S/c1-2-21-16(20)13-12(9-17-14(13)22)8-5-10-3-6-11(7-4-10)15(18)19/h3-4,6-7,12-13H,2,5,8-9H2,1H3,(H,17,22)(H,18,19)