methyl 2-[(5-bromanylthiophen-2-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(5-bromanylthiophen-2-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(5-bromo-2-thienyl)sulfonylamino]propanoate CAS Name: 2-[(5-bromo-2-thiophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(5-bromothiophen-2-yl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(5-bromo-2-thienyl)sulfonylamino]propionic acid methyl ester Formula: C15H16BrNO4S3 MolecularWeight: 450.39084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C15H16BrNO4S3/c1-21-15(18)12(10-22-9-11-5-3-2-4-6-11)17-24(19,20)14-8-7-13(16)23-14/h2-8,12,17H,9-10H2,1H3