ethyl 5-azanylidene-4-[(4-bromophenyl)methylsulfanyl]-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxylate

Systemtic Name: ethyl 5-azanylidene-4-[(4-bromophenyl)methylsulfanyl]-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxylate Openeye Name: ethyl 4-[(4-bromophenyl)methylsulfanyl]-5-imino-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxylate CAS Name: 4-[(4-bromophenyl)methylthio]-5-imino-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromophenyl)methylsulfanyl]-5-imino-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxylate Traditional Name: 4-[(4-bromobenzyl)thio]-5-imino-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxylic acid ethyl ester Formula: C21H19BrN2O2S2 MolecularWeight: 475.42176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C1C3=CC=CN3C2=N)SCC4=CC=C(C=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C1C3=CC=CN3C2=N)SCC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C21H19BrN2O2S2/c1-3-26-20(25)16-12(2)28-21(27-11-13-6-8-14(22)9-7-13)18-17(16)15-5-4-10-24(15)19(18)23/h4-10,17,23H,3,11H2,1-2H3