2-(4-ethoxyphenoxy)ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-(4-ethoxyphenoxy)ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(4-ethoxyphenoxy)ethyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-(4-ethoxyphenoxy)ethyl ester IUPAC Name: 2-(4-ethoxyphenoxy)ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 2-(4-ethoxyphenoxy)ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCOC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCOC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C21H25NO5S/c1-3-25-15-8-10-16(11-9-15)26-12-13-27-21(24)19-17-6-4-5-7-18(17)28-20(19)22-14(2)23/h8-11H,3-7,12-13H2,1-2H3,(H,22,23)