2-[[5-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(4-bromophenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C19H17BrO4S MolecularWeight: 421.30488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Br)CSCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Br)CSCC(=O)O

InChI

InChI=1S/C19H17BrO4S/c1-24-18-9-5-14(10-15(18)11-25-12-19(22)23)17(21)8-4-13-2-6-16(20)7-3-13/h2-10H,11-12H2,1H3,(H,22,23)/b8-4+