ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(5-methyl-2-furyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(5-methyl-2-furyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H17BrN2O4S MolecularWeight: 485.35038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(=CC3=CC=C(O3)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)/C(=C/C3=CC=C(O3)C)/C#N

InChI

InChI=1S/C22H17BrN2O4S/c1-3-28-22(27)19-18(14-5-7-16(23)8-6-14)12-30-21(19)25-20(26)15(11-24)10-17-9-4-13(2)29-17/h4-10,12H,3H2,1-2H3,(H,25,26)/b15-10+