[4-[3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [4-[3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [4-[3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [4-[3-(butylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-(butylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [4-[3-(butylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H18Br2N2O4S MolecularWeight: 542.24092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(S2)Br)Br)OC)C#N

Isomeric SMILES

CCCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(S2)Br)Br)OC)C#N

InChI

InChI=1S/C20H18Br2N2O4S/c1-3-4-7-24-19(25)13(11-23)8-12-5-6-15(16(9-12)27-2)28-20(26)17-10-14(21)18(22)29-17/h5-6,8-10H,3-4,7H2,1-2H3,(H,24,25)