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

Systemtic Name: 5-azanylidene-2-methyl-N-(2-methylphenyl)-4-phenacylsulfanyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Openeye Name: 5-imino-2-methyl-N-(o-tolyl)-4-phenacylsulfanyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide CAS Name: 5-imino-2-methyl-N-(2-methylphenyl)-4-(phenacylthio)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide IUPAC Name: 5-imino-2-methyl-N-(2-methylphenyl)-4-phenacylsulfanyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Traditional Name: 5-imino-2-methyl-N-(o-tolyl)-4-(phenacylthio)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Formula: C27H23N3O2S2 MolecularWeight: 485.62042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(SC(=C3C2C4=CC=CN4C3=N)SCC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(SC(=C3C2C4=CC=CN4C3=N)SCC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H23N3O2S2/c1-16-9-6-7-12-19(16)29-26(32)22-17(2)34-27(33-15-21(31)18-10-4-3-5-11-18)24-23(22)20-13-8-14-30(20)25(24)28/h3-14,23,28H,15H2,1-2H3,(H,29,32)