O4-ethyl O2-propan-2-yl 5-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-propan-2-yl ester IUPAC Name: 4-O-ethyl 2-O-propan-2-yl 5-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C23H26BrNO6S MolecularWeight: 524.42464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OCC

InChI

InChI=1S/C23H26BrNO6S/c1-6-29-17-10-9-16(24)12-15(17)8-11-18(26)25-21-19(22(27)30-7-2)14(5)20(32-21)23(28)31-13(3)4/h8-13H,6-7H2,1-5H3,(H,25,26)