(2-ethyl-1,3-thiazol-4-yl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (2-ethylthiazol-4-yl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (2-ethylthiazol-4-yl)methyl ester Formula: C16H20N4O6S2 MolecularWeight: 428.4832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O6S2/c1-4-15-18-11(10-27-15)9-26-16(21)8-17-28(24,25)12-5-6-13(19(2)3)14(7-12)20(22)23/h5-7,10,17H,4,8-9H2,1-3H3