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

Systemtic Name: propan-2-yl 2-[2-(2,3-dimethylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 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-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 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-carboxylic acid isopropyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-13(2)27-22(25)20-16-9-5-6-11-18(16)28-21(20)23-19(24)12-26-17-10-7-8-14(3)15(17)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,23,24)