(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-phenylsulfanylpropanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-phenylsulfanylpropanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C(C)SC3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)[C@H](C)SC3=CC=CC=C3)O

InChI

InChI=1S/C21H20O5S/c1-3-14-9-17-15(10-20(23)26-19(17)11-18(14)22)12-25-21(24)13(2)27-16-7-5-4-6-8-16/h4-11,13,22H,3,12H2,1-2H3/t13-/m0/s1