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octyl 2-benzamido-3-(phenylmethylsulfanyl)propanoate

octyl 2-benzamido-3-(phenylmethylsulfanyl)propanoate

Systemtic Name:octyl 2-benzamido-3-(phenylmethylsulfanyl)propanoate
Openeye Name:octyl 2-benzamido-3-benzylsulfanyl-propanoate
CAS Name:2-benzamido-3-(phenylmethylthio)propanoic acid octyl ester
IUPAC Name:octyl 2-benzamido-3-benzylsulfanylpropanoate
Traditional Name:2-benzamido-3-(benzylthio)propionic acid octyl ester
Formula: C25H33NO3S
MolecularWeight: 427.59942
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2


Isomeric SMILES

CCCCCCCCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2


InChI

InChI=1S/C25H33NO3S/c1-2-3-4-5-6-13-18-29-25(28)23(20-30-19-21-14-9-7-10-15-21)26-24(27)22-16-11-8-12-17-22/h7-12,14-17,23H,2-6,13,18-20H2,1H3,(H,26,27)


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