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

Systemtic Name: methyl 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O3S/c1-23(13-19-22-16-5-3-4-6-17(16)27-19)12-18(24)21-11-14-7-9-15(10-8-14)20(25)26-2/h3-10H,11-13H2,1-2H3,(H,21,24)