2-azanyl-3-[3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[[5-(carboxymethyl)-4-methyl-thiazol-2-yl]sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[[5-(carboxymethyl)-4-methyl-thiazol-2-yl]thio]methyl]phenyl]propionic acid Formula: C16H18N2O4S2 MolecularWeight: 366.45512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=CC=CC(=C2)CC(C(=O)O)N)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=CC=CC(=C2)CC(C(=O)O)N)CC(=O)O

InChI

InChI=1S/C16H18N2O4S2/c1-9-13(7-14(19)20)24-16(18-9)23-8-11-4-2-3-10(5-11)6-12(17)15(21)22/h2-5,12H,6-8,17H2,1H3,(H,19,20)(H,21,22)