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

Systemtic Name: ethyl 2-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-acetyl-N-methylsulfonyl-anilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-acetyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-acetyl-N-mesyl-anilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3=CC=CC(=C3)C(=O)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3=CC=CC(=C3)C(=O)C)S(=O)(=O)C

InChI

InChI=1S/C22H26N2O6S2/c1-4-30-22(27)20-17-10-5-6-11-18(17)31-21(20)23-19(26)13-24(32(3,28)29)16-9-7-8-15(12-16)14(2)25/h7-9,12H,4-6,10-11,13H2,1-3H3,(H,23,26)