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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)C(=O)OCC

InChI

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