(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic 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-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H17ClO5S MolecularWeight: 404.86398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CSC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CSC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C20H17ClO5S/c1-12-7-18-16(9-17(12)21)13(8-19(22)26-18)10-25-20(23)11-27-15-5-3-14(24-2)4-6-15/h3-9H,10-11H2,1-2H3