diethyl 2-azanylthiopyrano[3,2-a]indolizin-9-ium-3,10-dicarboxylate chloride

Systemtic Name: diethyl 2-azanylthiopyrano[3,2-a]indolizin-9-ium-3,10-dicarboxylate chloride Openeye Name: diethyl 2-aminothiopyrano[3,2-a]indolizin-9-ium-3,10-dicarboxylate chloride CAS Name: 2-aminothiopyrano[3,2-a]indolizin-9-ium-3,10-dicarboxylic acid diethyl ester chloride IUPAC Name: diethyl 2-aminothiopyrano[3,2-a]indolizin-9-ium-3,10-dicarboxylate chloride Traditional Name: 2-aminothiopyran[3,2-a]indolizin-9-ium-3,10-dicarboxylic acid diethyl ester chloride Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C([N+]3=CC=CC=C3C2=C1)C(=O)OCC)N.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C([N+]3=CC=CC=C3C2=C1)C(=O)OCC)N.[Cl-]

InChI

InChI=1S/C17H16N2O4S.ClH/c1-3-22-16(20)11-9-10-12-7-5-6-8-19(12)13(17(21)23-4-2)14(10)24-15(11)18;/h5-9,18H,3-4H2,1-2H3;1H