ethyl 3,3-bis[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl 3,3-bis[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl]-2-cyano-prop-2-enoate Openeye Name: ethyl 3,3-bis[[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl]-2-cyano-prop-2-enoate CAS Name: 3,3-bis[[2-(4-bromophenyl)-2-oxoethyl]thio]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl 3,3-bis[[2-(4-bromophenyl)-2-oxoethyl]sulfanyl]-2-cyanoprop-2-enoate Traditional Name: 3,3-bis[[2-(4-bromophenyl)-2-keto-ethyl]thio]-2-cyano-acrylic acid ethyl ester Formula: C22H17Br2NO4S2 MolecularWeight: 583.31268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SCC(=O)C1=CC=C(C=C1)Br)SCC(=O)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCOC(=O)C(=C(SCC(=O)C1=CC=C(C=C1)Br)SCC(=O)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C22H17Br2NO4S2/c1-2-29-21(28)18(11-25)22(30-12-19(26)14-3-7-16(23)8-4-14)31-13-20(27)15-5-9-17(24)10-6-15/h3-10H,2,12-13H2,1H3