ethyl 2-[2-[(2-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-ethoxy-N-methylsulfonyl-anilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-ethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-ethoxy-N-mesyl-anilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O6S2/c1-4-29-17-12-8-7-11-16(17)24(32(3,27)28)14-19(25)23-21-20(22(26)30-5-2)15-10-6-9-13-18(15)31-21/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3,(H,23,25)