(4-nitrophenyl)methyl 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H11Cl2NO5S MolecularWeight: 412.24394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C17H11Cl2NO5S/c1-24-12-7-6-11-13(18)16(26-15(11)14(12)19)17(21)25-8-9-2-4-10(5-3-9)20(22)23/h2-7H,8H2,1H3