methyl 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]benzoate Openeye Name: methyl 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]benzoate CAS Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]benzoate Traditional Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]benzoic acid methyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2O2S/c1-20(11-13-7-9-14(10-8-13)18(21)22-2)12-17-19-15-5-3-4-6-16(15)23-17/h3-10H,11-12H2,1-2H3