methyl 4,5-dimethyl-2-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H17N2O4S+ MolecularWeight: 321.37148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[N+]2=CC=CC(=C2)O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[N+]2=CC=CC(=C2)O)C

InChI

InChI=1S/C15H16N2O4S/c1-9-10(2)22-14(13(9)15(20)21-3)16-12(19)8-17-6-4-5-11(18)7-17/h4-7H,8H2,1-3H3,(H-,16,18,19,20)/p+1