ethyl (4S)-4-methyl-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (4S)-4-methyl-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (4S)-4-methyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (4S)-4-methyl-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (4S)-4-methyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)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=C1C(CCC2)C)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1[C@H](CCC2)C)NC(=O)C[NH+]3CCCC3

InChI

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