[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C21H16N2O6S2 MolecularWeight: 456.49154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H16N2O6S2/c1-27-16-5-3-12(8-17(16)28-2)20-22-14(11-30-20)10-29-21(24)19-9-13-7-15(23(25)26)4-6-18(13)31-19/h3-9,11H,10H2,1-2H3