(4-bromophenyl)methyl (E)-3-(2-azanylethylsulfanyl)prop-2-enoate

Systemtic Name: (4-bromophenyl)methyl (E)-3-(2-azanylethylsulfanyl)prop-2-enoate Openeye Name: (4-bromophenyl)methyl (E)-3-(2-aminoethylsulfanyl)prop-2-enoate CAS Name: (E)-3-(2-aminoethylthio)-2-propenoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl (E)-3-(2-aminoethylsulfanyl)prop-2-enoate Traditional Name: (E)-3-(2-aminoethylthio)acrylic acid (4-bromobenzyl) ester Formula: C12H14BrNO2S MolecularWeight: 316.21406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO2S/c13-11-3-1-10(2-4-11)9-16-12(15)5-7-17-8-6-14/h1-5,7H,6,8-9,14H2/b7-5+