(1-cyanoindolizin-2-yl)methyl 2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2,4-dichlorobenzoyl)amino]-4-(methylthio)butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H19Cl2N3O3S MolecularWeight: 476.37556

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CSCCC(C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H19Cl2N3O3S/c1-31-9-7-19(26-21(28)16-6-5-15(23)10-18(16)24)22(29)30-13-14-12-27-8-3-2-4-20(27)17(14)11-25/h2-6,8,10,12,19H,7,9,13H2,1H3,(H,26,28)