3-[[2-[5-(2-methylphenyl)-1,3-benzothiazol-2-yl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 3-[[2-[5-(2-methylphenyl)-1,3-benzothiazol-2-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 3-[[[2-[5-(o-tolyl)-1,3-benzothiazol-2-yl]acetyl]amino]methyl]benzoic acid CAS Name: 3-[[[2-[5-(2-methylphenyl)-1,3-benzothiazol-2-yl]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[2-[5-(2-methylphenyl)-1,3-benzothiazol-2-yl]acetyl]amino]methyl]benzoic acid Traditional Name: 3-[[[2-[5-(o-tolyl)-1,3-benzothiazol-2-yl]acetyl]amino]methyl]benzoic acid Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C=C2)SC(=N3)CC(=O)NCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C=C2)SC(=N3)CC(=O)NCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H20N2O3S/c1-15-5-2-3-8-19(15)17-9-10-21-20(12-17)26-23(30-21)13-22(27)25-14-16-6-4-7-18(11-16)24(28)29/h2-12H,13-14H2,1H3,(H,25,27)(H,28,29)