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

Systemtic Name: methyl 4-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]methyl]benzoate Openeye Name: methyl 4-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]methyl]benzoate CAS Name: 4-[[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]methyl]benzoate Traditional Name: 4-[[4-(1,3-benzothiazol-2-ylthio)butanoylamino]methyl]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)CNC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

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