methyl 4-[2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]ethyl]benzoic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S2/c1-25-20(24)15-8-6-14(7-9-15)10-11-21-18(23)12-26-13-19-22-16-4-2-3-5-17(16)27-19/h2-9H,10-13H2,1H3,(H,21,23)