methyl 2-[[5-[2-azanyl-3-cyano-4-(3,4-dichlorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-[2-azanyl-3-cyano-4-(3,4-dichlorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester Formula: C21H17Cl2N5O3S2 MolecularWeight: 522.42738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)Cl)Cl)C(=O)CCC3

Isomeric SMILES

COC(=O)CSC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)Cl)Cl)C(=O)CCC3

InChI

InChI=1S/C21H17Cl2N5O3S2/c1-31-16(30)9-32-21-27-26-20(33-21)28-14-3-2-4-15(29)18(14)17(11(8-24)19(28)25)10-5-6-12(22)13(23)7-10/h5-7,17H,2-4,9,25H2,1H3