methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-5-phenyl-pent-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-5-phenyl-pent-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-5-phenyl-pent-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-1-oxo-5-phenylpent-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-5-phenylpent-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-5-phenyl-pent-2-enoyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C24H19BrN2O3S MolecularWeight: 495.38826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(=CCCC3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)/C(=C/CCC3=CC=CC=C3)/C#N

InChI

InChI=1S/C24H19BrN2O3S/c1-30-24(29)21-20(17-10-12-19(25)13-11-17)15-31-23(21)27-22(28)18(14-26)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-13,15H,5,8H2,1H3,(H,27,28)/b18-9+