[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2)C

InChI

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