2-[4,5-bis(4-chlorophenyl)-3-ethanoyl-2-oxidanylidene-pyridin-1-yl]ethyl 2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: 2-[4,5-bis(4-chlorophenyl)-3-ethanoyl-2-oxidanylidene-pyridin-1-yl]ethyl 2-azanyl-4-methylsulfanyl-butanoate Openeye Name: 2-[3-acetyl-4,5-bis(4-chlorophenyl)-2-oxo-1-pyridyl]ethyl 2-amino-4-methylsulfanyl-butanoate CAS Name: 2-amino-4-(methylthio)butanoic acid 2-[3-acetyl-4,5-bis(4-chlorophenyl)-2-oxo-1-pyridinyl]ethyl ester IUPAC Name: 2-[3-acetyl-4,5-bis(4-chlorophenyl)-2-oxopyridin-1-yl]ethyl 2-amino-4-methylsulfanylbutanoate Traditional Name: 2-amino-4-(methylthio)butyric acid 2-[3-acetyl-4,5-bis(4-chlorophenyl)-2-keto-1-pyridyl]ethyl ester Formula: C26H26Cl2N2O4S MolecularWeight: 533.46664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CN(C1=O)CCOC(=O)C(CCSC)N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=C(C(=CN(C1=O)CCOC(=O)C(CCSC)N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H26Cl2N2O4S/c1-16(31)23-24(18-5-9-20(28)10-6-18)21(17-3-7-19(27)8-4-17)15-30(25(23)32)12-13-34-26(33)22(29)11-14-35-2/h3-10,15,22H,11-14,29H2,1-2H3