methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-1-oxo-3-(3-phenoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(3-phenoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C28H19BrN2O4S MolecularWeight: 559.43046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)/C(=C/C3=CC(=CC=C3)OC4=CC=CC=C4)/C#N

InChI

InChI=1S/C28H19BrN2O4S/c1-34-28(33)25-24(19-10-12-21(29)13-11-19)17-36-27(25)31-26(32)20(16-30)14-18-6-5-9-23(15-18)35-22-7-3-2-4-8-22/h2-15,17H,1H3,(H,31,32)/b20-14+