methyl 6-[[4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]amino]hexanoate

Systemtic Name: methyl 6-[[4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]amino]hexanoate Openeye Name: methyl 6-[[4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanoyl]amino]hexanoate CAS Name: 6-[[4-(methylthio)-1-oxo-2-[[(E)-2-phenylethenyl]sulfonylamino]butyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]amino]hexanoate Traditional Name: 6-[[4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butanoyl]amino]hexanoic acid methyl ester Formula: C20H30N2O5S2 MolecularWeight: 442.5926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C(CCSC)NS(=O)(=O)C=CC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCCCNC(=O)C(CCSC)NS(=O)(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C20H30N2O5S2/c1-27-19(23)11-7-4-8-14-21-20(24)18(12-15-28-2)22-29(25,26)16-13-17-9-5-3-6-10-17/h3,5-6,9-10,13,16,18,22H,4,7-8,11-12,14-15H2,1-2H3,(H,21,24)/b16-13+