ethyl 2-[[(2S)-2-(4-methylpyridin-1-ium-1-yl)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-(4-methylpyridin-1-ium-1-yl)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(4-methylpyridin-1-ium-1-yl)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-(4-methyl-1-pyridin-1-iumyl)-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(4-methylpyridin-1-ium-1-yl)propanoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-(4-methylpyridin-1-ium-1-yl)propanoyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H23N2O3S+ MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-4-27-22(26)18-14-19(17-8-6-5-7-9-17)28-21(18)23-20(25)16(3)24-12-10-15(2)11-13-24/h5-14,16H,4H2,1-3H3/p+1/t16-/m0/s1