3-thiomorpholin-4-ylcarbonylbenzoic acid

Systemtic Name: 3-thiomorpholin-4-ylcarbonylbenzoic acid Openeye Name: 3-(thiomorpholine-4-carbonyl)benzoic acid CAS Name: 3-[oxo(thiomorpholin-4-yl)methyl]benzoic acid IUPAC Name: 3-(thiomorpholine-4-carbonyl)benzoic acid Traditional Name: 3-(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=C2)C(=O)O

Isomeric SMILES

C1CSCCN1C(=O)C2=CC(=CC=C2)C(=O)O

InChI

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