2-[2-(4-ethylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[2-(4-ethylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[2-(4-ethylphenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

InChI

InChI=1S/C19H21NO4S/c1-2-12-7-9-13(10-8-12)24-11-16(21)20-18-17(19(22)23)14-5-3-4-6-15(14)25-18/h7-10H,2-6,11H2,1H3,(H,20,21)(H,22,23)