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

Systemtic Name: (4-nitrophenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (4-nitrobenzyl) ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4S/c18-16(14-10-22-15-4-2-1-3-13(14)15)21-9-11-5-7-12(8-6-11)17(19)20/h5-8,10H,1-4,9H2