(5-ethanoyl-2-ethoxy-phenyl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C22H25NO5S/c1-4-27-18-10-9-15(13(2)24)11-16(18)12-28-22(26)20-17-7-5-6-8-19(17)29-21(20)23-14(3)25/h9-11H,4-8,12H2,1-3H3,(H,23,25)