ethyl 2-[[(2S)-2-morpholin-4-ium-4-ylpropanoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-morpholin-4-ium-4-ylpropanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-morpholin-4-ium-4-ylpropanoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-(4-morpholin-4-iumyl)-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-morpholin-4-ium-4-ylpropanoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-morpholin-4-ium-4-ylpropanoyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25N2O4S+ MolecularWeight: 389.4885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-3-26-20(24)16-13-17(15-7-5-4-6-8-15)27-19(16)21-18(23)14(2)22-9-11-25-12-10-22/h4-8,13-14H,3,9-12H2,1-2H3,(H,21,23)/p+1/t14-/m0/s1