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

Systemtic Name: methyl 2-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H25N2O3S2+ MolecularWeight: 405.5541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C20H24N2O3S2/c1-25-20(24)18-13-6-2-3-8-15(13)27-19(18)21-17(23)12-22-10-4-7-14(22)16-9-5-11-26-16/h5,9,11,14H,2-4,6-8,10,12H2,1H3,(H,21,23)/p+1/t14-/m1/s1