dipropan-2-yl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diisopropyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-3-(4-bromophenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diisopropyl ester Formula: C22H24BrNO5S MolecularWeight: 494.39866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C=CC2=CC=C(C=C2)Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)/C=C/C2=CC=C(C=C2)Br)C(=O)OC(C)C

InChI

InChI=1S/C22H24BrNO5S/c1-12(2)28-21(26)18-14(5)19(22(27)29-13(3)4)30-20(18)24-17(25)11-8-15-6-9-16(23)10-7-15/h6-13H,1-5H3,(H,24,25)/b11-8+