ethyl 3-[2-(4-chloranylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-chloranylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(4-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(4-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClNO4S/c1-2-24-19(23)18-17(14-5-3-4-6-15(14)26-18)21-16(22)11-25-13-9-7-12(20)8-10-13/h7-10H,2-6,11H2,1H3,(H,21,22)