3-[[4-carbamothioyl-2-(2-methylphenyl)-1,3-oxazol-5-yl]amino]propanoic acid

Systemtic Name: 3-[[4-carbamothioyl-2-(2-methylphenyl)-1,3-oxazol-5-yl]amino]propanoic acid Openeye Name: 3-[[4-carbamothioyl-2-(o-tolyl)oxazol-5-yl]amino]propanoic acid CAS Name: 3-[[4-carbamothioyl-2-(2-methylphenyl)-5-oxazolyl]amino]propanoic acid IUPAC Name: 3-[[4-carbamothioyl-2-(2-methylphenyl)-1,3-oxazol-5-yl]amino]propanoic acid Traditional Name: 3-[[2-(o-tolyl)-4-thiocarbamoyl-oxazol-5-yl]amino]propionic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(O2)NCCC(=O)O)C(=S)N

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(O2)NCCC(=O)O)C(=S)N

InChI

InChI=1S/C14H15N3O3S/c1-8-4-2-3-5-9(8)13-17-11(12(15)21)14(20-13)16-7-6-10(18)19/h2-5,16H,6-7H2,1H3,(H2,15,21)(H,18,19)