[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-propenoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]acrylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)OCC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C23H28N2O3S/c26-22(24-14-13-21-6-5-17-29-21)18-28-23(27)12-9-19-7-10-20(11-8-19)25-15-3-1-2-4-16-25/h5-12,17H,1-4,13-16,18H2,(H,24,26)/b12-9+