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

Systemtic Name: ethyl 5-ethyl-8-ethylsulfanyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate Openeye Name: ethyl 5-ethyl-8-ethylsulfanyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate CAS Name: 5-ethyl-8-(ethylthio)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-8-ethylsulfanyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate Traditional Name: 5-ethyl-8-(ethylthio)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylic acid ethyl ester Formula: C17H20NO4S+ MolecularWeight: 334.41

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C2=CC3=C(C=C21)OCO3)SCC)C(=O)OCC

Isomeric SMILES

CC[N+]1=CC(=C(C2=CC3=C(C=C21)OCO3)SCC)C(=O)OCC

InChI

InChI=1S/C17H20NO4S/c1-4-18-9-12(17(19)20-5-2)16(23-6-3)11-7-14-15(8-13(11)18)22-10-21-14/h7-9H,4-6,10H2,1-3H3/q+1