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

Systemtic Name: ethyl 2-[[(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acryloyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C31H28BrNO6S MolecularWeight: 622.52612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28BrNO6S/c1-4-38-31(35)28-24(22-11-13-23(36-2)14-12-22)19-40-30(28)33-27(34)15-10-21-16-25(32)29(26(17-21)37-3)39-18-20-8-6-5-7-9-20/h5-17,19H,4,18H2,1-3H3,(H,33,34)/b15-10+