3-(4-nitrophenyl)-2-[[5-oxidanylidene-4-(phenylmethyl)thiomorpholin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-nitrophenyl)-2-[[5-oxidanylidene-4-(phenylmethyl)thiomorpholin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-[(4-benzyl-5-oxo-thiomorpholine-3-carbonyl)amino]-3-(4-nitrophenyl)propanoic acid CAS Name: 3-(4-nitrophenyl)-2-[[oxo-[5-oxo-4-(phenylmethyl)-3-thiomorpholinyl]methyl]amino]propanoic acid IUPAC Name: 2-[(4-benzyl-5-oxothiomorpholine-3-carbonyl)amino]-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-[(4-benzyl-5-keto-thiomorpholine-3-carbonyl)amino]-3-(4-nitrophenyl)propionic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)CS1)CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(N(C(=O)CS1)CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H21N3O6S/c25-19-13-31-12-18(23(19)11-15-4-2-1-3-5-15)20(26)22-17(21(27)28)10-14-6-8-16(9-7-14)24(29)30/h1-9,17-18H,10-13H2,(H,22,26)(H,27,28)