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

Systemtic Name: (phenylmethyl) 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: benzyl 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid benzyl ester Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H16O2S/c17-16(18-10-12-6-2-1-3-7-12)14-11-19-15-9-5-4-8-13(14)15/h1-3,6-7,11H,4-5,8-10H2