5-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]-2-methoxy-benzoate

Systemtic Name: 5-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]-2-methoxy-benzoate Openeye Name: 5-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]-2-methoxy-benzoate CAS Name: 5-[[[(1,3-benzothiazol-2-ylmethylamino)-oxomethyl]amino]methyl]-2-methoxybenzoate IUPAC Name: 5-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]-2-methoxybenzoate Traditional Name: 5-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]-2-methoxy-benzoate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)NCC2=NC3=CC=CC=C3S2)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)NCC2=NC3=CC=CC=C3S2)C(=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-25-14-7-6-11(8-12(14)17(22)23)9-19-18(24)20-10-16-21-13-4-2-3-5-15(13)26-16/h2-8H,9-10H2,1H3,(H,22,23)(H2,19,20,24)/p-1