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

Systemtic Name: (E)-3-[5-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]butyl]thiophen-2-yl]but-2-enoate Openeye Name: (E)-3-[5-[3-[(2-hydroxy-3-phenoxy-propyl)amino]butyl]-2-thienyl]but-2-enoate CAS Name: (E)-3-[5-[3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]-2-thiophenyl]-2-butenoate IUPAC Name: (E)-3-[5-[3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]thiophen-2-yl]but-2-enoate Traditional Name: (E)-3-[5-[3-[(2-hydroxy-3-phenoxy-propyl)amino]butyl]-2-thienyl]but-2-enoate Formula: C21H26NO4S- MolecularWeight: 388.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=CC(=O)[O-])C)NCC(COC2=CC=CC=C2)O

Isomeric SMILES

CC(CCC1=CC=C(S1)/C(=C/C(=O)[O-])/C)NCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C21H27NO4S/c1-15(12-21(24)25)20-11-10-19(27-20)9-8-16(2)22-13-17(23)14-26-18-6-4-3-5-7-18/h3-7,10-12,16-17,22-23H,8-9,13-14H2,1-2H3,(H,24,25)/p-1/b15-12+