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

Systemtic Name: ethyl (6R)-2-[2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-2-[[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-2-[[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H32N3O4S+ MolecularWeight: 434.57218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H31N3O4S/c1-3-29-22(28)19-16-7-4-14(2)12-17(16)30-20(19)23-18(26)13-24-8-10-25(11-9-24)21(27)15-5-6-15/h14-15H,3-13H2,1-2H3,(H,23,26)/p+1/t14-/m1/s1