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

Systemtic Name: (4-nitrophenyl)methyl 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H12ClNO5S MolecularWeight: 377.79888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClNO5S/c1-23-12-6-7-13-14(8-12)25-16(15(13)18)17(20)24-9-10-2-4-11(5-3-10)19(21)22/h2-8H,9H2,1H3