5-oxidanylidene-6-(2-oxidanylidene-2-phenylazanyl-ethyl)thiomorpholine-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-6-(2-oxidanylidene-2-phenylazanyl-ethyl)thiomorpholine-3-carboxylic acid Openeye Name: 6-(2-anilino-2-oxo-ethyl)-5-oxo-thiomorpholine-3-carboxylic acid CAS Name: 6-(2-anilino-2-oxoethyl)-5-oxo-3-thiomorpholinecarboxylic acid IUPAC Name: 6-(2-anilino-2-oxoethyl)-5-oxothiomorpholine-3-carboxylic acid Traditional Name: 6-(2-anilino-2-keto-ethyl)-5-keto-thiomorpholine-3-carboxylic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(S1)CC(=O)NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C(NC(=O)C(S1)CC(=O)NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-11(14-8-4-2-1-3-5-8)6-10-12(17)15-9(7-20-10)13(18)19/h1-5,9-10H,6-7H2,(H,14,16)(H,15,17)(H,18,19)