2-thiomorpholin-4-ylcarbonylbenzoic acid

Systemtic Name: 2-thiomorpholin-4-ylcarbonylbenzoic acid Openeye Name: 2-(thiomorpholine-4-carbonyl)benzoic acid CAS Name: 2-[oxo(thiomorpholin-4-yl)methyl]benzoic acid IUPAC Name: 2-(thiomorpholine-4-carbonyl)benzoic acid Traditional Name: 2-(thiomorpholine-4-carbonyl)benzoic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CSCCN1C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H13NO3S/c14-11(13-5-7-17-8-6-13)9-3-1-2-4-10(9)12(15)16/h1-4H,5-8H2,(H,15,16)