S-(4-bromophenyl) (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enethioate

Systemtic Name: S-(4-bromophenyl) (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enethioate Openeye Name: S-(4-bromophenyl) (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enethioate CAS Name: (E)-3-(2,3,4-trimethoxyphenyl)-2-propenethioic acid S-(4-bromophenyl) ester IUPAC Name: S-(4-bromophenyl) (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enethioate Traditional Name: (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enethioic acid S-(4-bromophenyl) ester Formula: C18H17BrO4S MolecularWeight: 409.29418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=CC(=O)SC2=CC=C(C=C2)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C/C(=O)SC2=CC=C(C=C2)Br)OC)OC

InChI

InChI=1S/C18H17BrO4S/c1-21-15-10-4-12(17(22-2)18(15)23-3)5-11-16(20)24-14-8-6-13(19)7-9-14/h4-11H,1-3H3/b11-5+