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

Systemtic Name: ethyl 2-[2-(3-ethylphenoxy)ethanoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-ethylphenoxy)-1-oxoethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3C)C(=O)OCC

InChI

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