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

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

CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

InChI

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