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

Systemtic Name: (phenylmethyl) 2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: benzyl 2-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid benzyl ester Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H18O2S/c1-12-16(14-9-5-6-10-15(14)20-12)17(18)19-11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3