(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-phenylsulfanylethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-phenylsulfanylethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C20H18O4S/c1-13-8-17-15(10-19(21)24-18(17)9-14(13)2)11-23-20(22)12-25-16-6-4-3-5-7-16/h3-10H,11-12H2,1-2H3