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

Systemtic Name: dimethyl 1-methylsulfanyl-4a-phenyl-5H-thiopyrano[4,3-b]indole-3,4-dicarboxylate Openeye Name: dimethyl 1-methylsulfanyl-4a-phenyl-5H-thiopyrano[4,3-b]indole-3,4-dicarboxylate CAS Name: 1-(methylthio)-4a-phenyl-5H-thiopyrano[4,3-b]indole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-methylsulfanyl-4a-phenyl-5H-thiopyrano[4,3-b]indole-3,4-dicarboxylate Traditional Name: 1-(methylthio)-4a-phenyl-5H-thiopyran[4,3-b]indole-3,4-dicarboxylic acid dimethyl ester Formula: C22H19NO4S2 MolecularWeight: 425.52056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C2C1(NC3=CC=CC=C32)C4=CC=CC=C4)SC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=C2C1(NC3=CC=CC=C32)C4=CC=CC=C4)SC)C(=O)OC

InChI

InChI=1S/C22H19NO4S2/c1-26-19(24)17-18(20(25)27-2)29-21(28-3)16-14-11-7-8-12-15(14)23-22(16,17)13-9-5-4-6-10-13/h4-12,23H,1-3H3