(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)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-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H17ClO5S MolecularWeight: 416.87468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SCC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SCC(=O)C)Cl

InChI

InChI=1S/C21H17ClO5S/c1-12-7-18-16(9-17(12)22)14(8-20(24)27-18)10-26-21(25)15-5-3-4-6-19(15)28-11-13(2)23/h3-9H,10-11H2,1-2H3