dimethyl 4a,5-dimethyl-1-piperidin-1-yl-thiopyrano[4,3-b]indole-3,4-dicarboxylate

Systemtic Name: dimethyl 4a,5-dimethyl-1-piperidin-1-yl-thiopyrano[4,3-b]indole-3,4-dicarboxylate Openeye Name: dimethyl 4a,5-dimethyl-1-(1-piperidyl)thiopyrano[4,3-b]indole-3,4-dicarboxylate CAS Name: 4a,5-dimethyl-1-(1-piperidinyl)thiopyrano[4,3-b]indole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4a,5-dimethyl-1-piperidin-1-ylthiopyrano[4,3-b]indole-3,4-dicarboxylate Traditional Name: 4a,5-dimethyl-1-piperidino-thiopyran[4,3-b]indole-3,4-dicarboxylic acid dimethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(=C(SC(=C1C(=O)OC)C(=O)OC)N3CCCCC3)C4=CC=CC=C4N2C

Isomeric SMILES

CC12C(=C(SC(=C1C(=O)OC)C(=O)OC)N3CCCCC3)C4=CC=CC=C4N2C

InChI

InChI=1S/C22H26N2O4S/c1-22-16(14-10-6-7-11-15(14)23(22)2)19(24-12-8-5-9-13-24)29-18(21(26)28-4)17(22)20(25)27-3/h6-7,10-11H,5,8-9,12-13H2,1-4H3