methyl 2-[2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyloxy]acetyl]amino]benzoate CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-ylthio)-1-oxobutoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyloxy]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylthio)butanoyloxy]acetyl]amino]benzoic acid methyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H20N2O5S2/c1-27-20(26)14-7-2-3-8-15(14)22-18(24)13-28-19(25)11-6-12-29-21-23-16-9-4-5-10-17(16)30-21/h2-5,7-10H,6,11-13H2,1H3,(H,22,24)