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

Systemtic Name: ethyl 4-cyclopropyl-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H18N2O4S2/c1-2-23-17(21)15-12(11-6-7-11)9-25-16(15)18-13(20)10-24-14-5-3-4-8-19(14)22/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,18,20)