dimethyl 2-[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[3-(1,3-benzothiazol-2-yl)-1-oxopropoxy]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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