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

Systemtic Name: (4-bromophenyl) (E)-3-(2-azanylethylsulfanyl)prop-2-enoate Openeye Name: (4-bromophenyl) (E)-3-(2-aminoethylsulfanyl)prop-2-enoate CAS Name: (E)-3-(2-aminoethylthio)-2-propenoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) (E)-3-(2-aminoethylsulfanyl)prop-2-enoate Traditional Name: (E)-3-(2-aminoethylthio)acrylic acid (4-bromophenyl) ester Formula: C11H12BrNO2S MolecularWeight: 302.18748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)C=CSCCN)Br

Isomeric SMILES

C1=CC(=CC=C1OC(=O)/C=C/SCCN)Br

InChI

InChI=1S/C11H12BrNO2S/c12-9-1-3-10(4-2-9)15-11(14)5-7-16-8-6-13/h1-5,7H,6,8,13H2/b7-5+