1,3-benzothiazol-2-ylmethyl 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S/c1-13-6-2-3-7-14(13)19(23)20-11-10-18(22)24-12-17-21-15-8-4-5-9-16(15)25-17/h2-9H,10-12H2,1H3,(H,20,23)