(2-methoxy-5-nitro-phenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-methoxy-5-nitrophenyl) ester IUPAC Name: (2-methoxy-5-nitrophenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-methoxy-5-nitro-phenyl) ester Formula: C16H15NO5S MolecularWeight: 333.359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C16H15NO5S/c1-21-12-7-6-11(17(19)20)9-13(12)22-16(18)15-8-10-4-2-3-5-14(10)23-15/h6-9H,2-5H2,1H3