ethyl 5-chloranyl-4-(4-fluorophenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-4-(4-fluorophenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-4-(4-fluorophenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-chloro-4-(4-fluorophenyl)-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-(4-fluorophenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-chloro-4-(4-fluorophenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H21ClFN2O4S+ MolecularWeight: 427.897443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)Cl)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)Cl)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C19H20ClFN2O4S/c1-2-27-19(25)16-15(12-3-5-13(21)6-4-12)17(20)28-18(16)22-14(24)11-23-7-9-26-10-8-23/h3-6H,2,7-11H2,1H3,(H,22,24)/p+1