(E)-3-[5-[3-[(2-oxidanyl-2-phenyl-ethyl)amino]butyl]thiophen-2-yl]but-2-enoate

Systemtic Name: (E)-3-[5-[3-[(2-oxidanyl-2-phenyl-ethyl)amino]butyl]thiophen-2-yl]but-2-enoate Openeye Name: (E)-3-[5-[3-[(2-hydroxy-2-phenyl-ethyl)amino]butyl]-2-thienyl]but-2-enoate CAS Name: (E)-3-[5-[3-[(2-hydroxy-2-phenylethyl)amino]butyl]-2-thiophenyl]-2-butenoate IUPAC Name: (E)-3-[5-[3-[(2-hydroxy-2-phenylethyl)amino]butyl]thiophen-2-yl]but-2-enoate Traditional Name: (E)-3-[5-[3-[(2-hydroxy-2-phenyl-ethyl)amino]butyl]-2-thienyl]but-2-enoate Formula: C20H24NO3S- MolecularWeight: 358.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=CC(=O)[O-])C)NCC(C2=CC=CC=C2)O

Isomeric SMILES

CC(CCC1=CC=C(S1)/C(=C/C(=O)[O-])/C)NCC(C2=CC=CC=C2)O

InChI

InChI=1S/C20H25NO3S/c1-14(12-20(23)24)19-11-10-17(25-19)9-8-15(2)21-13-18(22)16-6-4-3-5-7-16/h3-7,10-12,15,18,21-22H,8-9,13H2,1-2H3,(H,23,24)/p-1/b14-12+