ethyl 4-(2-methylpropyl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H22N2O4S2/c1-4-24-18(22)16-13(9-12(2)3)10-26-17(16)19-14(21)11-25-15-7-5-6-8-20(15)23/h5-8,10,12H,4,9,11H2,1-3H3,(H,19,21)