(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C23H19NO4S2 MolecularWeight: 437.53126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4)C

InChI

InChI=1S/C23H19NO4S2/c1-14-7-20-17(9-22(25)28-21(20)8-15(14)2)10-27-23(26)16-3-5-19(6-4-16)30-12-18-11-29-13-24-18/h3-9,11,13H,10,12H2,1-2H3