dimethyl 4,9-dimethylthiopyrano[2,3-b]indol-9-ium-2,3-dicarboxylate

Systemtic Name: dimethyl 4,9-dimethylthiopyrano[2,3-b]indol-9-ium-2,3-dicarboxylate Openeye Name: dimethyl 4,9-dimethylthiopyrano[2,3-b]indol-9-ium-2,3-dicarboxylate CAS Name: 4,9-dimethylthiopyrano[2,3-b]indol-9-ium-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4,9-dimethylthiopyrano[2,3-b]indol-9-ium-2,3-dicarboxylate Traditional Name: 4,9-dimethylthiopyran[2,3-b]indol-9-ium-2,3-dicarboxylic acid dimethyl ester Formula: C17H16NO4S+ MolecularWeight: 330.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=CC=CC=C3[N+](=C2SC(=C1C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=C2C3=CC=CC=C3[N+](=C2SC(=C1C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C17H16NO4S/c1-9-12-10-7-5-6-8-11(10)18(2)15(12)23-14(17(20)22-4)13(9)16(19)21-3/h5-8H,1-4H3/q+1