ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]thiophene-3-carboxylic acid ethyl ester Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=CC=CC=[N+]2[O-])C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=CC=CC=[N+]2[O-])C(=O)NC)N

InChI

InChI=1S/C15H17N3O4S2/c1-3-22-15(20)11-9(12(14(19)17-2)24-13(11)16)8-23-10-6-4-5-7-18(10)21/h4-7H,3,8,16H2,1-2H3,(H,17,19)