ethyl 2-[3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H26BrNO5S MolecularWeight: 544.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C26H26BrNO5S/c1-5-32-26(30)23-16(2)17(3)34-25(23)28-22(29)12-11-19-13-20(27)24(21(14-19)31-4)33-15-18-9-7-6-8-10-18/h6-14H,5,15H2,1-4H3,(H,28,29)