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

Systemtic Name: (4-bromophenyl)methyl 3-(2-azanylethylsulfanyl)-2-bromanyl-prop-2-enoate hydrochloride Openeye Name: (4-bromophenyl)methyl 3-(2-aminoethylsulfanyl)-2-bromo-prop-2-enoate hydrochloride CAS Name: 3-(2-aminoethylthio)-2-bromo-2-propenoic acid (4-bromophenyl)methyl ester hydrochloride IUPAC Name: (4-bromophenyl)methyl 3-(2-aminoethylsulfanyl)-2-bromoprop-2-enoate hydrochloride Traditional Name: 3-(2-aminoethylthio)-2-bromo-acrylic acid (4-bromobenzyl) ester hydrochloride Formula: C12H14Br2ClNO2S MolecularWeight: 431.57106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Br2NO2S.ClH/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;1H