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

Systemtic Name: ethyl (6R)-6-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[[2-(4-mesylpiperazino)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H29N3O5S2 MolecularWeight: 443.58066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O5S2/c1-4-27-19(24)17-14-6-5-13(2)11-15(14)28-18(17)20-16(23)12-21-7-9-22(10-8-21)29(3,25)26/h13H,4-12H2,1-3H3,(H,20,23)/t13-/m1/s1