1,3-benzothiazol-2-ylmethyl (2R)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2R)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2R)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS[C@H](C)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S2/c1-13-7-9-15(10-8-13)21-18(23)12-26-14(2)20(24)25-11-19-22-16-5-3-4-6-17(16)27-19/h3-10,14H,11-12H2,1-2H3,(H,21,23)/t14-/m1/s1