methyl 3-(4-nitrophenyl)-2-[[5-oxidanylidene-4-(phenylmethyl)thiomorpholin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-(4-nitrophenyl)-2-[[5-oxidanylidene-4-(phenylmethyl)thiomorpholin-3-yl]carbonylamino]propanoate Openeye Name: methyl 2-[(4-benzyl-5-oxo-thiomorpholine-3-carbonyl)amino]-3-(4-nitrophenyl)propanoate CAS Name: 3-(4-nitrophenyl)-2-[[oxo-[5-oxo-4-(phenylmethyl)-3-thiomorpholinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-benzyl-5-oxothiomorpholine-3-carbonyl)amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[(4-benzyl-5-keto-thiomorpholine-3-carbonyl)amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2CSCC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2CSCC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O6S/c1-31-22(28)18(11-15-7-9-17(10-8-15)25(29)30)23-21(27)19-13-32-14-20(26)24(19)12-16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3,(H,23,27)