5-azanylidene-2-methyl-N-phenyl-4-(phenylmethylsulfanyl)-9bH-pyrano[4,3-a]pyrrolizine-1-carboxamide

Systemtic Name: 5-azanylidene-2-methyl-N-phenyl-4-(phenylmethylsulfanyl)-9bH-pyrano[4,3-a]pyrrolizine-1-carboxamide Openeye Name: 4-benzylsulfanyl-5-imino-2-methyl-N-phenyl-9bH-pyrano[4,3-a]pyrrolizine-1-carboxamide CAS Name: 5-imino-2-methyl-N-phenyl-4-(phenylmethylthio)-9bH-pyrano[4,3-a]pyrrolizine-1-carboxamide IUPAC Name: 4-benzylsulfanyl-5-imino-2-methyl-N-phenyl-9bH-pyrano[4,3-a]pyrrolizine-1-carboxamide Traditional Name: 4-(benzylthio)-5-imino-2-methyl-N-phenyl-9bH-pyrano[4,3-a]pyrrolizine-1-carboxamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2C3=CC=CN3C(=N)C2=C(O1)SCC4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2C3=CC=CN3C(=N)C2=C(O1)SCC4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S/c1-16-20(24(29)27-18-11-6-3-7-12-18)21-19-13-8-14-28(19)23(26)22(21)25(30-16)31-15-17-9-4-2-5-10-17/h2-14,21,26H,15H2,1H3,(H,27,29)