dimethyl 5-[2-(1,3-benzothiazol-2-ylmethoxy)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1,3-benzothiazol-2-ylmethoxy)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(1,3-benzothiazol-2-ylmethoxy)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)COCC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)COCC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C20H18N2O6S/c1-26-19(24)12-7-13(20(25)27-2)9-14(8-12)21-17(23)10-28-11-18-22-15-5-3-4-6-16(15)29-18/h3-9H,10-11H2,1-2H3,(H,21,23)