methyl 6-(3-phenylsulfanylprop-2-enoylamino)hexanoate

Systemtic Name: methyl 6-(3-phenylsulfanylprop-2-enoylamino)hexanoate Openeye Name: methyl 6-(3-phenylsulfanylprop-2-enoylamino)hexanoate CAS Name: 6-[[1-oxo-3-(phenylthio)prop-2-enyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(3-phenylsulfanylprop-2-enoylamino)hexanoate Traditional Name: 6-[[3-(phenylthio)acryloyl]amino]hexanoic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C=CSC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCCCNC(=O)C=CSC1=CC=CC=C1

InChI

InChI=1S/C16H21NO3S/c1-20-16(19)10-6-3-7-12-17-15(18)11-13-21-14-8-4-2-5-9-14/h2,4-5,8-9,11,13H,3,6-7,10,12H2,1H3,(H,17,18)