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

Systemtic Name: methyl 2-[2-[(2-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S2/c1-4-29-16-11-7-6-10-15(16)23(31(3,26)27)13-18(24)22-20-19(21(25)28-2)14-9-5-8-12-17(14)30-20/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,22,24)