3-[1-[4-[3-(1-hydroxyethyl)thiophen-2-yl]phenyl]ethyl]-7-(3-oxidanylpropyl)-7-phenyl-1,3-oxazepan-2-one

Systemtic Name: 3-[1-[4-[3-(1-hydroxyethyl)thiophen-2-yl]phenyl]ethyl]-7-(3-oxidanylpropyl)-7-phenyl-1,3-oxazepan-2-one Openeye Name: 3-[1-[4-[3-(1-hydroxyethyl)-2-thienyl]phenyl]ethyl]-7-(3-hydroxypropyl)-7-phenyl-1,3-oxazepan-2-one CAS Name: 3-[1-[4-[3-(1-hydroxyethyl)-2-thiophenyl]phenyl]ethyl]-7-(3-hydroxypropyl)-7-phenyl-1,3-oxazepan-2-one IUPAC Name: 3-[1-[4-[3-(1-hydroxyethyl)thiophen-2-yl]phenyl]ethyl]-7-(3-hydroxypropyl)-7-phenyl-1,3-oxazepan-2-one Traditional Name: 3-[1-[4-[3-(1-hydroxyethyl)-2-thienyl]phenyl]ethyl]-7-(3-hydroxypropyl)-7-phenyl-1,3-oxazepan-2-one Formula: C28H33NO4S MolecularWeight: 479.63092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=C(C=CS2)C(C)O)N3CCCC(OC3=O)(CCCO)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=C(C=CS2)C(C)O)N3CCCC(OC3=O)(CCCO)C4=CC=CC=C4

InChI

InChI=1S/C28H33NO4S/c1-20(22-10-12-23(13-11-22)26-25(21(2)31)14-19-34-26)29-17-6-15-28(16-7-18-30,33-27(29)32)24-8-4-3-5-9-24/h3-5,8-14,19-21,30-31H,6-7,15-18H2,1-2H3