(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenylsulfanylpropanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C20H18O5S MolecularWeight: 370.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCSC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCSC3=CC=CC=C3)O

InChI

InChI=1S/C20H18O5S/c1-13-17(21)8-7-16-14(11-19(23)25-20(13)16)12-24-18(22)9-10-26-15-5-3-2-4-6-15/h2-8,11,21H,9-10,12H2,1H3