ethyl 3-azanyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-(4-methylpyridin-1-ium-1-yl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-(4-methylpyridin-1-ium-1-yl)thiophene-2-carboxylate Openeye Name: ethyl 3-amino-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-(4-methylpyridin-1-ium-1-yl)thiophene-2-carboxylate CAS Name: 3-amino-5-[(2-ethoxy-2-oxoethyl)thio]-4-(4-methyl-1-pyridin-1-iumyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-5-(2-ethoxy-2-oxoethyl)sulfanyl-4-(4-methylpyridin-1-ium-1-yl)thiophene-2-carboxylate Traditional Name: 3-amino-5-[(2-ethoxy-2-keto-ethyl)thio]-4-(4-methylpyridin-1-ium-1-yl)thiophene-2-carboxylic acid ethyl ester Formula: C17H21N2O4S2+ MolecularWeight: 381.48964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=C(S1)C(=O)OCC)N)[N+]2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CSC1=C(C(=C(S1)C(=O)OCC)N)[N+]2=CC=C(C=C2)C

InChI

InChI=1S/C17H20N2O4S2/c1-4-22-12(20)10-24-17-14(19-8-6-11(3)7-9-19)13(18)15(25-17)16(21)23-5-2/h6-9H,4-5,10H2,1-3H3,(H-,18,21)/p+1