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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: (6-chloro-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 (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-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 (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H18ClNO4S2 MolecularWeight: 471.97632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SCC4=CSC(=N4)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SCC4=CSC(=N4)C)Cl

InChI

InChI=1S/C23H18ClNO4S2/c1-13-7-20-18(9-19(13)24)15(8-22(26)29-20)10-28-23(27)17-5-3-4-6-21(17)31-12-16-11-30-14(2)25-16/h3-9,11H,10,12H2,1-2H3