5-oxidanylidene-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]thiomorpholine-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]thiomorpholine-3-carboxylic acid Openeye Name: 6-[2-(benzylamino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylic acid CAS Name: 5-oxo-6-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 6-[2-(benzylamino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid Traditional Name: 6-[2-(benzylamino)-2-keto-ethyl]-5-keto-thiomorpholine-3-carboxylic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(S1)CC(=O)NCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C(NC(=O)C(S1)CC(=O)NCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H16N2O4S/c17-12(15-7-9-4-2-1-3-5-9)6-11-13(18)16-10(8-21-11)14(19)20/h1-5,10-11H,6-8H2,(H,15,17)(H,16,18)(H,19,20)