ethyl 2-[(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(5-bromo-6-chloro-3-pyridyl)sulfonylamino]propanoate CAS Name: 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(5-bromo-6-chloropyridin-3-yl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(5-bromo-6-chloro-3-pyridyl)sulfonylamino]propionic acid ethyl ester Formula: C17H18BrClN2O4S2 MolecularWeight: 493.82282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Br

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Br

InChI

InChI=1S/C17H18BrClN2O4S2/c1-2-25-17(22)15(11-26-10-12-6-4-3-5-7-12)21-27(23,24)13-8-14(18)16(19)20-9-13/h3-9,15,21H,2,10-11H2,1H3