(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C17H14N2O6S2 MolecularWeight: 406.43286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14N2O6S2/c1-23-14-5-12(13(19(21)22)6-15(14)24-2)17(20)25-7-11-9-27-16(18-11)10-3-4-26-8-10/h3-6,8-9H,7H2,1-2H3