(phenylmethyl) 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]ethanoate Openeye Name: benzyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]acetate CAS Name: 2-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]acetate Traditional Name: 2-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]acetic acid benzyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c23-18(21-13-19(24)25-14-15-7-2-1-3-8-15)11-6-12-26-20-22-16-9-4-5-10-17(16)27-20/h1-5,7-10H,6,11-14H2,(H,21,23)