methyl 4-[2-[1,3-benzothiazol-2-yl-(3,5-dimethylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1,3-benzothiazol-2-yl-(3,5-dimethylphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-anilino]acetyl]amino]benzoate CAS Name: 4-[[2-[N-(1,3-benzothiazol-2-yl)-3,5-dimethylanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[N-(1,3-benzothiazol-2-yl)-3,5-dimethylanilino]acetyl]amino]benzoate Traditional Name: 4-[[2-[N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-anilino]acetyl]amino]benzoic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C25H23N3O3S/c1-16-12-17(2)14-20(13-16)28(25-27-21-6-4-5-7-22(21)32-25)15-23(29)26-19-10-8-18(9-11-19)24(30)31-3/h4-14H,15H2,1-3H3,(H,26,29)