(4,5-dimethoxy-2-methyl-phenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C19H17NO6S MolecularWeight: 387.40638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H17NO6S/c1-11-6-15(24-2)16(25-3)8-13(11)10-26-19(21)18-9-12-7-14(20(22)23)4-5-17(12)27-18/h4-9H,10H2,1-3H3