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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c1-11-6-5-7-12(2)17(11)24-10-15(21)20-18-16(19(22)23)13-8-3-4-9-14(13)25-18/h5-7H,3-4,8-10H2,1-2H3,(H,20,21)(H,22,23)