(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: (7,8-dimethyl-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 (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-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-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H18N2O4S3 MolecularWeight: 470.58432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C(=S)SC(=N4)SC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C(=S)SC(=N4)SC)C

InChI

InChI=1S/C22H18N2O4S3/c1-12-4-9-17-15(10-18(25)28-19(17)13(12)2)11-27-20(26)14-5-7-16(8-6-14)24-22(29)31-21(23-24)30-3/h4-10H,11H2,1-3H3