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

Systemtic Name: ethyl 5-(2,4-dichlorophenyl)-3-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(2,4-dichlorophenyl)-3-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 5-(2,4-dichlorophenyl)-3-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,4-dichlorophenyl)-3-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 5-(2,4-dichlorophenyl)-3-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H16Cl2N2O4S2 MolecularWeight: 483.38804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=C(C=C(C=C2)Cl)Cl)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=C(C=C(C=C2)Cl)Cl)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H16Cl2N2O4S2/c1-2-28-20(26)19-15(10-16(30-19)13-7-6-12(21)9-14(13)22)23-17(25)11-29-18-5-3-4-8-24(18)27/h3-10H,2,11H2,1H3,(H,23,25)