3-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]propanoic acid IUPAC Name: 3-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-keto-7-methyl-chromen-4-yl)methylthio]propionic acid Formula: C14H14O4S MolecularWeight: 278.32356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O4S/c1-9-2-3-11-10(8-19-5-4-13(15)16)7-14(17)18-12(11)6-9/h2-3,6-7H,4-5,8H2,1H3,(H,15,16)