dimethyl 1-(cyanomethylsulfanyl)-4a,5-dimethyl-thiopyrano[4,3-b]indole-3,4-dicarboxylate

Systemtic Name: dimethyl 1-(cyanomethylsulfanyl)-4a,5-dimethyl-thiopyrano[4,3-b]indole-3,4-dicarboxylate Openeye Name: dimethyl 1-(cyanomethylsulfanyl)-4a,5-dimethyl-thiopyrano[4,3-b]indole-3,4-dicarboxylate CAS Name: 1-(cyanomethylthio)-4a,5-dimethylthiopyrano[4,3-b]indole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(cyanomethylsulfanyl)-4a,5-dimethylthiopyrano[4,3-b]indole-3,4-dicarboxylate Traditional Name: 1-(cyanomethylthio)-4a,5-dimethyl-thiopyran[4,3-b]indole-3,4-dicarboxylic acid dimethyl ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(=C(SC(=C1C(=O)OC)C(=O)OC)SCC#N)C3=CC=CC=C3N2C

Isomeric SMILES

CC12C(=C(SC(=C1C(=O)OC)C(=O)OC)SCC#N)C3=CC=CC=C3N2C

InChI

InChI=1S/C19H18N2O4S2/c1-19-13(11-7-5-6-8-12(11)21(19)2)18(26-10-9-20)27-15(17(23)25-4)14(19)16(22)24-3/h5-8H,10H2,1-4H3