ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]propanoate CAS Name: 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]propionic acid ethyl ester Formula: C18H19ClFNO4S2 MolecularWeight: 431.929163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClFNO4S2/c1-2-25-18(22)17(12-26-11-13-6-4-3-5-7-13)21-27(23,24)14-8-9-16(20)15(19)10-14/h3-10,17,21H,2,11-12H2,1H3