(4-bromophenyl)methyl (Z)-3-(2-azanylethylsulfanyl)-2-bromanyl-prop-2-enoate

Systemtic Name: (4-bromophenyl)methyl (Z)-3-(2-azanylethylsulfanyl)-2-bromanyl-prop-2-enoate Openeye Name: (4-bromophenyl)methyl (Z)-3-(2-aminoethylsulfanyl)-2-bromo-prop-2-enoate CAS Name: (Z)-3-(2-aminoethylthio)-2-bromo-2-propenoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl (Z)-3-(2-aminoethylsulfanyl)-2-bromoprop-2-enoate Traditional Name: (Z)-3-(2-aminoethylthio)-2-bromo-acrylic acid (4-bromobenzyl) ester Formula: C12H13Br2NO2S MolecularWeight: 395.11012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C(=CSCCN)Br)Br

Isomeric SMILES

C1=CC(=CC=C1COC(=O)/C(=C/SCCN)/Br)Br

InChI

InChI=1S/C12H13Br2NO2S/c13-10-3-1-9(2-4-10)7-17-12(16)11(14)8-18-6-5-15/h1-4,8H,5-7,15H2/b11-8-