(E)-N-[(3-cyclopentyloxyphenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[(3-cyclopentyloxyphenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[[3-(cyclopentoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[(3-cyclopentyloxyphenyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[(3-cyclopentyloxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[3-(cyclopentoxy)benzyl]-N-[(3S)-2-ketoazepan-3-yl]-3-(2-thienyl)acrylamide Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)CN(C3CCCCNC3=O)C(=O)C=CC4=CC=CS4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC(=CC=C2)OC3CCCC3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C25H30N2O3S/c28-24(14-13-22-11-6-16-31-22)27(23-12-3-4-15-26-25(23)29)18-19-7-5-10-21(17-19)30-20-8-1-2-9-20/h5-7,10-11,13-14,16-17,20,23H,1-4,8-9,12,15,18H2,(H,26,29)/b14-13+/t23-/m0/s1