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

Systemtic Name: 2-[2-(2,3-dimethylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2,3-dimethylphenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C19H20NO4S- MolecularWeight: 358.4314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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