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

Systemtic Name: (E)-3-[5-[3-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]butyl]thiophen-2-yl]but-2-enoate Openeye Name: (E)-3-[5-[3-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]butyl]-2-thienyl]but-2-enoate CAS Name: (E)-3-[5-[3-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]butyl]-2-thiophenyl]-2-butenoate IUPAC Name: (E)-3-[5-[3-[(2-hydroxy-2-pyridin-3-ylethyl)amino]butyl]thiophen-2-yl]but-2-enoate Traditional Name: (E)-3-[5-[3-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]butyl]-2-thienyl]but-2-enoate Formula: C19H23N2O3S- MolecularWeight: 359.46252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3S/c1-13(10-19(23)24)18-8-7-16(25-18)6-5-14(2)21-12-17(22)15-4-3-9-20-11-15/h3-4,7-11,14,17,21-22H,5-6,12H2,1-2H3,(H,23,24)/p-1/b13-10+