ethyl 1-[(Z)-2-(4-phenylphenyl)-3-thiophen-2-yl-prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(Z)-2-(4-phenylphenyl)-3-thiophen-2-yl-prop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(Z)-2-(4-phenylphenyl)-3-(2-thienyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(Z)-1-oxo-2-(4-phenylphenyl)-3-thiophen-2-ylprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(Z)-2-(4-phenylphenyl)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(Z)-2-(4-phenylphenyl)-3-(2-thienyl)acryloyl]isonipecotic acid ethyl ester Formula: C27H27NO3S MolecularWeight: 445.57318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(=CC2=CC=CS2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)/C(=C\C2=CC=CS2)/C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO3S/c1-2-31-27(30)23-14-16-28(17-15-23)26(29)25(19-24-9-6-18-32-24)22-12-10-21(11-13-22)20-7-4-3-5-8-20/h3-13,18-19,23H,2,14-17H2,1H3/b25-19-