2-[[(E)-3-phenylprop-2-enoyl]amino]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide

Systemtic Name: 2-[[(E)-3-phenylprop-2-enoyl]amino]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide Openeye Name: 2-[[(E)-3-phenylprop-2-enoyl]amino]-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 2-[[(E)-3-phenylprop-2-enoyl]amino]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide Traditional Name: 2-[[(E)-3-phenylacryloyl]amino]-N-[2-pyrrolidino-2-(2-thienyl)ethyl]propionamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(C1=CC=CS1)N2CCCC2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC(C1=CC=CS1)N2CCCC2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-17(24-21(26)12-11-18-8-3-2-4-9-18)22(27)23-16-19(20-10-7-15-28-20)25-13-5-6-14-25/h2-4,7-12,15,17,19H,5-6,13-14,16H2,1H3,(H,23,27)(H,24,26)/b12-11+