diethyl (2S)-2-[(5-nitro-1,3-thiazol-2-yl)carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[(5-nitro-1,3-thiazol-2-yl)carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[(5-nitrothiazole-2-carbonyl)amino]pentanedioate CAS Name: (2S)-2-[[(5-nitro-2-thiazolyl)-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[(5-nitro-1,3-thiazole-2-carbonyl)amino]pentanedioate Traditional Name: (2S)-2-[(5-nitrothiazole-2-carbonyl)amino]glutaric acid diethyl ester Formula: C13H17N3O7S MolecularWeight: 359.35498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=NC=C(S1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=NC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O7S/c1-3-22-10(17)6-5-8(13(19)23-4-2)15-11(18)12-14-7-9(24-12)16(20)21/h7-8H,3-6H2,1-2H3,(H,15,18)/t8-/m0/s1