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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H18O4S/c1-14-7-8-17-15(12-20(22)24-18(17)11-14)13-23-19(21)9-10-25-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3