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

Systemtic Name: ethyl 3-azanyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-pyridin-1-ium-1-yl-thiophene-2-carboxylate bromide Openeye Name: ethyl 3-amino-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-pyridin-1-ium-1-yl-thiophene-2-carboxylate bromide CAS Name: 3-amino-5-[(2-ethoxy-2-oxoethyl)thio]-4-(1-pyridin-1-iumyl)-2-thiophenecarboxylic acid ethyl ester bromide IUPAC Name: ethyl 3-amino-5-(2-ethoxy-2-oxoethyl)sulfanyl-4-pyridin-1-ium-1-ylthiophene-2-carboxylate bromide Traditional Name: 3-amino-5-[(2-ethoxy-2-keto-ethyl)thio]-4-pyridin-1-ium-1-yl-thiophene-2-carboxylic acid ethyl ester bromide Formula: C16H19BrN2O4S2 MolecularWeight: 447.36706

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S2.BrH/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);1H