(2,6-ditert-butyl-4-methyl-cyclohexyl) 3-azanyl-6-cyano-1-(3,4-dichlorophenyl)-7-methylsulfanyl-5-oxidanylidene-pyrrolizine-2-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 3-azanyl-6-cyano-1-(3,4-dichlorophenyl)-7-methylsulfanyl-5-oxidanylidene-pyrrolizine-2-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 3-amino-6-cyano-1-(3,4-dichlorophenyl)-7-methylsulfanyl-5-oxo-pyrrolizine-2-carboxylate CAS Name: 3-amino-6-cyano-1-(3,4-dichlorophenyl)-7-(methylthio)-5-oxo-2-pyrrolizinecarboxylic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 3-amino-6-cyano-1-(3,4-dichlorophenyl)-7-methylsulfanyl-5-oxopyrrolizine-2-carboxylate Traditional Name: 3-amino-6-cyano-1-(3,4-dichlorophenyl)-5-keto-7-(methylthio)pyrrolizine-2-carboxylic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C31H37Cl2N3O3S MolecularWeight: 602.61478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C(N3C(=C2C4=CC(=C(C=C4)Cl)Cl)C(=C(C3=O)C#N)SC)N)C(C)(C)C

Isomeric SMILES

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C(N3C(=C2C4=CC(=C(C=C4)Cl)Cl)C(=C(C3=O)C#N)SC)N)C(C)(C)C

InChI

InChI=1S/C31H37Cl2N3O3S/c1-15-11-18(30(2,3)4)25(19(12-15)31(5,6)7)39-29(38)23-22(16-9-10-20(32)21(33)13-16)24-26(40-8)17(14-34)28(37)36(24)27(23)35/h9-10,13,15,18-19,25H,11-12,35H2,1-8H3