diethyl 5-[[(E)-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[(E)-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[(E)-3-(3-bromo-4-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-3-(3-bromo-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[(E)-3-(3-bromo-4-methoxyphenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-3-(3-bromo-4-methoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO6S/c1-5-28-20(25)17-12(3)18(21(26)29-6-2)30-19(17)23-16(24)10-8-13-7-9-15(27-4)14(22)11-13/h7-11H,5-6H2,1-4H3,(H,23,24)/b10-8+