(2S)-2-[[6-bromanyl-2,4-bis(oxidanylidene)thiochromen-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[6-bromanyl-2,4-bis(oxidanylidene)thiochromen-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[(6-bromo-2,4-dioxo-thiochromane-3-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[(6-bromo-2,4-dioxo-1-benzothiopyran-3-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(6-bromo-2,4-dioxothiochromene-3-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(6-bromo-2,4-diketo-thiochroman-3-carbonyl)amino]propionic acid Formula: C13H10BrNO5S MolecularWeight: 372.1912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1C(=O)C2=C(C=CC(=C2)Br)SC1=O

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1C(=O)C2=C(C=CC(=C2)Br)SC1=O

InChI

InChI=1S/C13H10BrNO5S/c1-5(12(18)19)15-11(17)9-10(16)7-4-6(14)2-3-8(7)21-13(9)20/h2-5,9H,1H3,(H,15,17)(H,18,19)/t5-,9?/m0/s1