[4-[(Z)-2-cyano-2-phenyl-ethenyl]-2-methoxy-phenyl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [4-[(Z)-2-cyano-2-phenyl-ethenyl]-2-methoxy-phenyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [4-[(Z)-2-cyano-2-phenyl-vinyl]-2-methoxy-phenyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [4-[(Z)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [4-[(Z)-2-cyano-2-phenyl-vinyl]-2-methoxy-phenyl] ester Formula: C21H13Br2NO3S MolecularWeight: 519.20582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC(=O)C3=CC(=C(S3)Br)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=CC=CC=C2)OC(=O)C3=CC(=C(S3)Br)Br

InChI

InChI=1S/C21H13Br2NO3S/c1-26-18-10-13(9-15(12-24)14-5-3-2-4-6-14)7-8-17(18)27-21(25)19-11-16(22)20(23)28-19/h2-11H,1H3/b15-9+