[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl ester IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC=CC=[N+]2[O-])C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC=CC=[N+]2[O-])C(=O)NC)N

InChI

InChI=1S/C16H17N3O6S/c1-3-24-16(22)11-9(12(14(20)18-2)26-13(11)17)8-25-15(21)10-6-4-5-7-19(10)23/h4-7H,3,8,17H2,1-2H3,(H,18,20)