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

Systemtic Name: 2-azanyl-3-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(2-keto-7-methyl-chromen-4-yl)methylthio]propionic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC(C(=O)O)N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC(C(=O)O)N

InChI

InChI=1S/C14H15NO4S/c1-8-2-3-10-9(5-13(16)19-12(10)4-8)6-20-7-11(15)14(17)18/h2-5,11H,6-7,15H2,1H3,(H,17,18)