(E)-3-[5-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]thiophen-2-yl]but-2-enoate

Systemtic Name: (E)-3-[5-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]thiophen-2-yl]but-2-enoate Openeye Name: (E)-3-[5-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-2-thienyl]but-2-enoate CAS Name: (E)-3-[5-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-2-thiophenyl]-2-butenoate IUPAC Name: (E)-3-[5-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]thiophen-2-yl]but-2-enoate Traditional Name: (E)-3-[5-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-2-thienyl]but-2-enoate Formula: C20H24NO4S- MolecularWeight: 374.47386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(S1)C(=CC(=O)[O-])C)NCC(COC2=CC=CC=C2)O

Isomeric SMILES

CC(CC1=CC=C(S1)/C(=C/C(=O)[O-])/C)NCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C20H25NO4S/c1-14(10-20(23)24)19-9-8-18(26-19)11-15(2)21-12-16(22)13-25-17-6-4-3-5-7-17/h3-10,15-16,21-22H,11-13H2,1-2H3,(H,23,24)/p-1/b14-10+