ethyl 4-methyl-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C22H21N3O5S2/c1-3-30-22(28)18-14(2)19(20(27)23-15-9-5-4-6-10-15)32-21(18)24-16(26)13-31-17-11-7-8-12-25(17)29/h4-12H,3,13H2,1-2H3,(H,23,27)(H,24,26)