methyl 4-[[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[3-(1,3-benzothiazol-2-yl)-1-oxopropoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H20N2O5S/c1-27-21(26)15-8-6-14(7-9-15)12-22-18(24)13-28-20(25)11-10-19-23-16-4-2-3-5-17(16)29-19/h2-9H,10-13H2,1H3,(H,22,24)