[2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[m-anisyl(methyl)amino]ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)OC)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC1=CC(=CC=C1)OC)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S/c1-23(13-15-6-5-7-16(12-15)26-2)20(24)14-27-21(25)11-10-19-22-17-8-3-4-9-18(17)28-19/h3-9,12H,10-11,13-14H2,1-2H3