ethyl 2-[[(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acryloyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H28BrNO5S MolecularWeight: 606.52672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C=CC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)/C=C/C3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C31H28BrNO5S/c1-4-37-31(35)28-27(23-13-9-6-10-14-23)20(2)39-30(28)33-26(34)16-15-22-17-24(32)29(25(18-22)36-3)38-19-21-11-7-5-8-12-21/h5-18H,4,19H2,1-3H3,(H,33,34)/b16-15+