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

Systemtic Name: methyl 4-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]benzoate Openeye Name: methyl 4-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[(1,3-benzothiazol-2-ylmethylamino)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]benzoic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O3S/c1-24-17(22)13-8-6-12(7-9-13)10-19-18(23)20-11-16-21-14-4-2-3-5-15(14)25-16/h2-9H,10-11H2,1H3,(H2,19,20,23)