5-azanylidene-4-(cyanomethylsulfanyl)-N-(2-methoxyphenyl)-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide

Systemtic Name: 5-azanylidene-4-(cyanomethylsulfanyl)-N-(2-methoxyphenyl)-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Openeye Name: 4-(cyanomethylsulfanyl)-5-imino-N-(2-methoxyphenyl)-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide CAS Name: 4-(cyanomethylthio)-5-imino-N-(2-methoxyphenyl)-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide IUPAC Name: 4-(cyanomethylsulfanyl)-5-imino-N-(2-methoxyphenyl)-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Traditional Name: 4-(cyanomethylthio)-5-imino-N-(2-methoxyphenyl)-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2C3=CC=CN3C(=N)C2=C(S1)SCC#N)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C2C3=CC=CN3C(=N)C2=C(S1)SCC#N)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C21H18N4O2S2/c1-12-16(20(26)24-13-6-3-4-8-15(13)27-2)17-14-7-5-10-25(14)19(23)18(17)21(29-12)28-11-9-22/h3-8,10,17,23H,11H2,1-2H3,(H,24,26)