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

Systemtic Name: dimethyl 5-[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[3-(1,3-benzothiazol-2-yl)-1-oxopropoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C22H20N2O7S/c1-29-21(27)13-9-14(22(28)30-2)11-15(10-13)23-18(25)12-31-20(26)8-7-19-24-16-5-3-4-6-17(16)32-19/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,25)