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(phenylmethyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

(phenylmethyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name:(phenylmethyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate
Openeye Name:benzyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate
CAS Name:3-(1,3-benzothiazol-2-ylthio)propanoic acid (phenylmethyl) ester
IUPAC Name:benzyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate
Traditional Name:3-(1,3-benzothiazol-2-ylthio)propionic acid benzyl ester
Formula: C17H15NO2S2
MolecularWeight: 329.4365
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H15NO2S2/c19-16(20-12-13-6-2-1-3-7-13)10-11-21-17-18-14-8-4-5-9-15(14)22-17/h1-9H,10-12H2


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