methyl 4,5-dimethoxy-2-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C21H19N3O7S2 MolecularWeight: 489.52146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7S2/c1-11-10-32-21(22-11)33-18-6-5-12(7-15(18)24(27)28)19(25)23-14-9-17(30-3)16(29-2)8-13(14)20(26)31-4/h5-10H,1-4H3,(H,23,25)