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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S2/c1-2-11-25-20(24)14-7-9-15(10-8-14)21-18(23)12-26-13-19-22-16-5-3-4-6-17(16)27-19/h3-10H,2,11-13H2,1H3,(H,21,23)