(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H19NO4S2 MolecularWeight: 437.53126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SCC4=CSC(=N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SCC4=CSC(=N4)C

InChI

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