(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H17ClO4S MolecularWeight: 388.86458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)SC)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)SC)Cl)C

InChI

InChI=1S/C20H17ClO4S/c1-11-4-6-15-13(8-18(22)25-19(15)12(11)2)10-24-20(23)16-9-14(26-3)5-7-17(16)21/h4-9H,10H2,1-3H3