3-(thiomorpholin-4-ylmethyl)benzoic acid

Systemtic Name: 3-(thiomorpholin-4-ylmethyl)benzoic acid Openeye Name: 3-(thiomorpholinomethyl)benzoic acid CAS Name: 3-(thiomorpholin-4-ylmethyl)benzoic acid IUPAC Name: 3-(thiomorpholin-4-ylmethyl)benzoic acid Traditional Name: 3-(thiomorpholinomethyl)benzoic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CSCCN1CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H15NO2S/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13/h1-3,8H,4-7,9H2,(H,14,15)