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

Systemtic Name: (3-nitrophenyl)methyl 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: (3-nitrophenyl)methyl 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid (3-nitrobenzyl) ester Formula: C16H9Cl2NO4S MolecularWeight: 382.21796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9Cl2NO4S/c17-10-4-5-12-13(7-10)24-15(14(12)18)16(20)23-8-9-2-1-3-11(6-9)19(21)22/h1-7H,8H2