methyl 4-(4-chlorophenyl)-4-oxidanylidene-3-(1H-thieno[3,4-d]imidazol-2-ylsulfanyl)butanoate

Systemtic Name: methyl 4-(4-chlorophenyl)-4-oxidanylidene-3-(1H-thieno[3,4-d]imidazol-2-ylsulfanyl)butanoate Openeye Name: methyl 4-(4-chlorophenyl)-4-oxo-3-(1H-thieno[3,4-d]imidazol-2-ylsulfanyl)butanoate CAS Name: 4-(4-chlorophenyl)-4-oxo-3-(1H-thieno[3,4-d]imidazol-2-ylthio)butanoic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-4-oxo-3-(1H-thieno[3,4-d]imidazol-2-ylsulfanyl)butanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-3-(1H-thien[3,4-d]imidazol-2-ylthio)butyric acid methyl ester Formula: C16H13ClN2O3S2 MolecularWeight: 380.86902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NC3=CSC=C3N2

Isomeric SMILES

COC(=O)CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NC3=CSC=C3N2

InChI

InChI=1S/C16H13ClN2O3S2/c1-22-14(20)6-13(15(21)9-2-4-10(17)5-3-9)24-16-18-11-7-23-8-12(11)19-16/h2-5,7-8,13H,6H2,1H3,(H,18,19)