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

Systemtic Name: methyl 4-[[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(1,3-benzothiazol-2-ylthio)propanoylamino]methyl]benzoic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S2/c1-24-18(23)14-8-6-13(7-9-14)12-20-17(22)10-11-25-19-21-15-4-2-3-5-16(15)26-19/h2-9H,10-12H2,1H3,(H,20,22)