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

Systemtic Name: ethyl 3-azanyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-pyridin-1-ium-1-yl-thiophene-2-carboxylate Openeye Name: ethyl 3-amino-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-pyridin-1-ium-1-yl-thiophene-2-carboxylate CAS Name: 3-amino-5-[(2-ethoxy-2-oxoethyl)thio]-4-(1-pyridin-1-iumyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-5-(2-ethoxy-2-oxoethyl)sulfanyl-4-pyridin-1-ium-1-ylthiophene-2-carboxylate Traditional Name: 3-amino-5-[(2-ethoxy-2-keto-ethyl)thio]-4-pyridin-1-ium-1-yl-thiophene-2-carboxylic acid ethyl ester Formula: C16H19N2O4S2+ MolecularWeight: 367.46306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S2/c1-3-21-11(19)10-23-16-13(18-8-6-5-7-9-18)12(17)14(24-16)15(20)22-4-2/h5-9H,3-4,10H2,1-2H3,(H-,17,20)/p+1