methyl 4-[(1,3-benzothiazol-6-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 4-[(1,3-benzothiazol-6-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 4-[(1,3-benzothiazole-6-carbonylamino)methyl]benzoate CAS Name: 4-[[[1,3-benzothiazol-6-yl(oxo)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1,3-benzothiazole-6-carbonylamino)methyl]benzoate Traditional Name: 4-[(1,3-benzothiazole-6-carbonylamino)methyl]benzoic acid methyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C17H14N2O3S/c1-22-17(21)12-4-2-11(3-5-12)9-18-16(20)13-6-7-14-15(8-13)23-10-19-14/h2-8,10H,9H2,1H3,(H,18,20)