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

Systemtic Name: methyl 5-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]-2-methoxy-benzoate CAS Name: 5-[[[(1,3-benzothiazol-2-ylmethylamino)-oxomethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]-2-methoxybenzoate Traditional Name: 5-[(1,3-benzothiazol-2-ylmethylcarbamoylamino)methyl]-2-methoxy-benzoic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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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)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)NCC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C19H19N3O4S/c1-25-15-8-7-12(9-13(15)18(23)26-2)10-20-19(24)21-11-17-22-14-5-3-4-6-16(14)27-17/h3-9H,10-11H2,1-2H3,(H2,20,21,24)