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

Systemtic Name: ethyl 2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S2/c1-4-23-17(21)12-9-13(11(2)3)25-16(12)18-14(20)10-24-15-7-5-6-8-19(15)22/h5-9,11H,4,10H2,1-3H3,(H,18,20)