(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (6-methyl-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (6-methylimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C=C(N=C2C=C1)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CN2C=C(N=C2C=C1)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S2/c1-12-3-6-17-20-13(10-21(17)9-12)11-28-18(23)8-19-30(26,27)14-4-5-16(29-2)15(7-14)22(24)25/h3-7,9-10,19H,8,11H2,1-2H3