ethyl (7R)-2-(2-morpholin-4-ium-4-ylethanoylamino)-7-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (7R)-2-(2-morpholin-4-ium-4-ylethanoylamino)-7-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (7R)-7-hydroxy-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (7R)-7-hydroxy-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (7R)-7-hydroxy-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (7R)-7-hydroxy-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H25N2O5S+ MolecularWeight: 369.4558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2O)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC[C@H]2O)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C17H24N2O5S/c1-2-24-17(22)14-11-4-3-5-12(20)15(11)25-16(14)18-13(21)10-19-6-8-23-9-7-19/h12,20H,2-10H2,1H3,(H,18,21)/p+1/t12-/m1/s1