dimethyl 5-[2-(1,3-benzothiazol-6-ylcarbonyloxy)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1,3-benzothiazol-6-ylcarbonyloxy)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1,3-benzothiazole-6-carbonyloxy)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[1,3-benzothiazol-6-yl(oxo)methoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1,3-benzothiazole-6-carbonyloxy)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1,3-benzothiazole-6-carbonyloxy)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H16N2O7S MolecularWeight: 428.41524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O7S/c1-27-18(24)12-5-13(19(25)28-2)7-14(6-12)22-17(23)9-29-20(26)11-3-4-15-16(8-11)30-10-21-15/h3-8,10H,9H2,1-2H3,(H,22,23)