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

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(3-bromo-4,5-dimethoxyphenyl)-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-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(3-bromo-4,5-dimethoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C23H26BrNO7S MolecularWeight: 540.42404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrNO7S/c1-7-31-22(27)18-13(4)20(23(28)32-12(2)3)33-21(18)25-17(26)9-8-14-10-15(24)19(30-6)16(11-14)29-5/h8-12H,7H2,1-6H3,(H,25,26)