ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-isopropoxy-3-methoxy-phenyl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC(=C(C=C3)OC(C)C)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C(=C/C3=CC(=C(C=C3)OC(C)C)OC)/C#N

InChI

InChI=1S/C27H26N2O5S/c1-5-33-27(31)24-21(19-9-7-6-8-10-19)16-35-26(24)29-25(30)20(15-28)13-18-11-12-22(34-17(2)3)23(14-18)32-4/h6-14,16-17H,5H2,1-4H3,(H,29,30)/b20-13+