ethyl 2-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2S)-1-oxo-2-(1-pyrrolidin-1-iumyl)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H27N2O3S+ MolecularWeight: 351.48358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@H](C)[NH+]3CCCC3

InChI

InChI=1S/C18H26N2O3S/c1-3-23-18(22)15-13-8-4-5-9-14(13)24-17(15)19-16(21)12(2)20-10-6-7-11-20/h12H,3-11H2,1-2H3,(H,19,21)/p+1/t12-/m0/s1