2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]propanoic acid IUPAC Name: 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(2-keto-7-methyl-chromen-4-yl)methylthio]propionic acid Formula: C14H14O4S MolecularWeight: 278.32356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(C)C(=O)O

InChI

InChI=1S/C14H14O4S/c1-8-3-4-11-10(7-19-9(2)14(16)17)6-13(15)18-12(11)5-8/h3-6,9H,7H2,1-2H3,(H,16,17)