ethyl 2-(2-morpholin-4-ium-4-ylethanoylamino)-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-morpholin-4-ium-4-ylethanoylamino)-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 7-keto-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C17H23N2O5S+ MolecularWeight: 367.43992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C17H22N2O5S/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/h2-10H2,1H3,(H,18,21)/p+1