O2-tert-butyl O4-ethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 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 O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 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 O2-tert-butyl ester O4-ethyl ester Formula: C22H24BrNO5S MolecularWeight: 494.39866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)/C=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C22H24BrNO5S/c1-6-28-20(26)17-13(2)18(21(27)29-22(3,4)5)30-19(17)24-16(25)12-9-14-7-10-15(23)11-8-14/h7-12H,6H2,1-5H3,(H,24,25)/b12-9+