5-oxidanylidene-4-(phenylmethyl)thiomorpholine-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-4-(phenylmethyl)thiomorpholine-3-carboxylic acid Openeye Name: 4-benzyl-5-oxo-thiomorpholine-3-carboxylic acid CAS Name: 5-oxo-4-(phenylmethyl)-3-thiomorpholinecarboxylic acid IUPAC Name: 4-benzyl-5-oxothiomorpholine-3-carboxylic acid Traditional Name: 4-benzyl-5-keto-thiomorpholine-3-carboxylic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)CS1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C(N(C(=O)CS1)CC2=CC=CC=C2)C(=O)O

InChI

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