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

Systemtic Name: [4-[3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [4-[3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [4-[3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [4-[3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C19H16Br2N2O3S MolecularWeight: 512.21494

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H16Br2N2O3S/c1-2-3-8-23-18(24)13(11-22)9-12-4-6-14(7-5-12)26-19(25)16-10-15(20)17(21)27-16/h4-7,9-10H,2-3,8H2,1H3,(H,23,24)