3-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(2-methylthiazol-4-yl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(2-methyl-4-thiazolyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(2-methylthiazol-4-yl)methylthio]acetyl]amino]benzoic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CSCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H14N2O3S2/c1-9-15-12(7-21-9)6-20-8-13(17)16-11-4-2-3-10(5-11)14(18)19/h2-5,7H,6,8H2,1H3,(H,16,17)(H,18,19)