4-[ethyl(phenyl)amino]thiolane-3-carboxylic acid

Systemtic Name: 4-[ethyl(phenyl)amino]thiolane-3-carboxylic acid Openeye Name: 4-(N-ethylanilino)tetrahydrothiophene-3-carboxylic acid CAS Name: 4-(N-ethylanilino)-3-thiolanecarboxylic acid IUPAC Name: 4-(N-ethylanilino)thiolane-3-carboxylic acid Traditional Name: 4-(N-ethylanilino)tetrahydrothiophene-3-carboxylic acid Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CSCC1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCN(C1CSCC1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H17NO2S/c1-2-14(10-6-4-3-5-7-10)12-9-17-8-11(12)13(15)16/h3-7,11-12H,2,8-9H2,1H3,(H,15,16)