ethyl 2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethanoylamino]-4-methyl-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethanoylamino]-4-methyl-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]-1-oxoethyl]amino]-4-methyl-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)C[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)C[NH+]3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C22H28N2O4S/c1-5-27-22(26)19-16(4)20(17-9-7-6-8-10-17)29-21(19)23-18(25)13-24-11-14(2)28-15(3)12-24/h6-10,14-15H,5,11-13H2,1-4H3,(H,23,25)/p+1/t14-,15-/m0/s1