O-methyl 4-(4-chlorophenyl)-4-oxidanylidene-3-(1H-thieno[3,4-d]imidazol-2-yl)butanethioate

Systemtic Name: O-methyl 4-(4-chlorophenyl)-4-oxidanylidene-3-(1H-thieno[3,4-d]imidazol-2-yl)butanethioate Openeye Name: O-methyl 4-(4-chlorophenyl)-4-oxo-3-(1H-thieno[3,4-d]imidazol-2-yl)butanethioate CAS Name: 4-(4-chlorophenyl)-4-oxo-3-(1H-thieno[3,4-d]imidazol-2-yl)butanethioic acid O-methyl ester IUPAC Name: O-methyl 4-(4-chlorophenyl)-4-oxo-3-(1H-thieno[3,4-d]imidazol-2-yl)butanethioate Traditional Name: 4-(4-chlorophenyl)-4-keto-3-(1H-thien[3,4-d]imidazol-2-yl)butanethioic acid O-methyl ester Formula: C16H13ClN2O2S2 MolecularWeight: 364.86962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)CC(C1=NC2=CSC=C2N1)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=S)CC(C1=NC2=CSC=C2N1)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2O2S2/c1-21-14(22)6-11(15(20)9-2-4-10(17)5-3-9)16-18-12-7-23-8-13(12)19-16/h2-5,7-8,11H,6H2,1H3,(H,18,19)