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

Systemtic Name: ethyl 3-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S2/c1-2-26-20(24)19-15(12-16(28-19)14-8-4-3-5-9-14)21-17(23)13-27-18-10-6-7-11-22(18)25/h3-12H,2,13H2,1H3,(H,21,23)