5a-butylsulfanyl-3-(phenylmethyl)-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizine-4,5-dione

Systemtic Name: 5a-butylsulfanyl-3-(phenylmethyl)-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizine-4,5-dione Openeye Name: 3-benzyl-5a-butylsulfanyl-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizine-4,5-dione CAS Name: 5a-(butylthio)-3-(phenylmethyl)-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizine-4,5-dione IUPAC Name: 3-benzyl-5a-butylsulfanyl-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizine-4,5-dione Traditional Name: 3-benzyl-5a-(butylthio)-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizine-4,5-quinone Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC12CCCN1C3=C(C2=O)C(=O)N(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCSC12CCCN1C3=C(C2=O)C(=O)N(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O2S/c1-2-3-14-26-21-11-7-12-23(21)17-10-13-22(20(25)18(17)19(21)24)15-16-8-5-4-6-9-16/h4-6,8-10,13H,2-3,7,11-12,14-15H2,1H3