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

Systemtic Name: ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoate Openeye Name: ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoate CAS Name: 4-[[2-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoate Traditional Name: 4-[2-(1,3-benzothiazol-2-ylthio)butanoylamino]benzoic acid ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S2/c1-3-16(26-20-22-15-7-5-6-8-17(15)27-20)18(23)21-14-11-9-13(10-12-14)19(24)25-4-2/h5-12,16H,3-4H2,1-2H3,(H,21,23)