dimethyl 5-methyl-1-methylsulfanyl-4a-phenyl-thiopyrano[4,3-b]indole-3,4-dicarboxylate

Systemtic Name: dimethyl 5-methyl-1-methylsulfanyl-4a-phenyl-thiopyrano[4,3-b]indole-3,4-dicarboxylate Openeye Name: dimethyl 5-methyl-1-methylsulfanyl-4a-phenyl-thiopyrano[4,3-b]indole-3,4-dicarboxylate CAS Name: 5-methyl-1-(methylthio)-4a-phenylthiopyrano[4,3-b]indole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-methyl-1-methylsulfanyl-4a-phenylthiopyrano[4,3-b]indole-3,4-dicarboxylate Traditional Name: 5-methyl-1-(methylthio)-4a-phenyl-thiopyran[4,3-b]indole-3,4-dicarboxylic acid dimethyl ester Formula: C23H21NO4S2 MolecularWeight: 439.54714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C(SC(=C(C31C4=CC=CC=C4)C(=O)OC)C(=O)OC)SC

Isomeric SMILES

CN1C2=CC=CC=C2C3=C(SC(=C(C31C4=CC=CC=C4)C(=O)OC)C(=O)OC)SC

InChI

InChI=1S/C23H21NO4S2/c1-24-16-13-9-8-12-15(16)17-22(29-4)30-19(21(26)28-3)18(20(25)27-2)23(17,24)14-10-6-5-7-11-14/h5-13H,1-4H3