(4-nitrophenyl) 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-nitrophenyl) 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-nitrophenyl) 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (4-nitrophenyl) ester Formula: C16H15NO4S MolecularWeight: 317.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4S/c1-10-2-7-14-11(8-10)9-15(22-14)16(18)21-13-5-3-12(4-6-13)17(19)20/h3-6,9-10H,2,7-8H2,1H3