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

Systemtic Name: ethyl 5-bromanyl-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-bromo-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H17BrN2O4S2 MolecularWeight: 493.39398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H17BrN2O4S2/c1-2-27-20(25)17-16(13-8-4-3-5-9-13)18(21)29-19(17)22-14(24)12-28-15-10-6-7-11-23(15)26/h3-11H,2,12H2,1H3,(H,22,24)