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

Systemtic Name: ethyl 3-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Openeye Name: ethyl 3-benzyl-4,5,6,7-tetrahydrobenzothiophene-6-carboxylate CAS Name: 3-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Traditional Name: 3-benzyl-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid ethyl ester Formula: C18H20O2S MolecularWeight: 300.4152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2=C(C1)SC=C2CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCC2=C(C1)SC=C2CC3=CC=CC=C3

InChI

InChI=1S/C18H20O2S/c1-2-20-18(19)14-8-9-16-15(12-21-17(16)11-14)10-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3