(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H16N2O5S3 MolecularWeight: 472.55714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C(=S)SC(=N4)SC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C(=S)SC(=N4)SC

InChI

InChI=1S/C21H16N2O5S3/c1-26-15-7-8-16-13(9-18(24)28-17(16)10-15)11-27-19(25)12-3-5-14(6-4-12)23-21(29)31-20(22-23)30-2/h3-10H,11H2,1-2H3