(5-ethanoyl-2-ethoxy-phenyl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H24O4S MolecularWeight: 372.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC3=C(S2)CCC(C3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC3=C(S2)CCC(C3)C

InChI

InChI=1S/C21H24O4S/c1-4-24-18-7-6-15(14(3)22)10-17(18)12-25-21(23)20-11-16-9-13(2)5-8-19(16)26-20/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3