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

Systemtic Name: (3-nitrophenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (3-nitrophenyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (3-nitrophenyl) ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO4S/c17-15(14-8-10-4-1-2-7-13(10)21-14)20-12-6-3-5-11(9-12)16(18)19/h3,5-6,8-9H,1-2,4,7H2