phenacyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: phenacyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: phenacyl 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid phenacyl ester IUPAC Name: phenacyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid phenacyl ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18O3S/c1-12-7-8-14-15(11-22-17(14)9-12)18(20)21-10-16(19)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3