ethyl 8-ethylsulfanyl-5-methyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate

Systemtic Name: ethyl 8-ethylsulfanyl-5-methyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate Openeye Name: ethyl 8-ethylsulfanyl-5-methyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate CAS Name: 8-(ethylthio)-5-methyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl 8-ethylsulfanyl-5-methyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate Traditional Name: 8-(ethylthio)-5-methyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylic acid ethyl ester Formula: C16H18NO4S+ MolecularWeight: 320.38342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC3=C(C=C2[N+](=C1)C)OCO3)SCC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC3=C(C=C2[N+](=C1)C)OCO3)SCC

InChI

InChI=1S/C16H18NO4S/c1-4-19-16(18)11-8-17(3)12-7-14-13(20-9-21-14)6-10(12)15(11)22-5-2/h6-8H,4-5,9H2,1-3H3/q+1