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

Systemtic Name: ethyl 5-chloranyl-2-(2-morpholin-4-ium-4-ylethanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-chloro-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-chloro-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H22ClN2O4S+ MolecularWeight: 409.90698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S/c1-2-26-19(24)16-15(13-6-4-3-5-7-13)17(20)27-18(16)21-14(23)12-22-8-10-25-11-9-22/h3-7H,2,8-12H2,1H3,(H,21,23)/p+1