(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C23H24N2O5S2/c26-22(29-16-19-17-30-23(24-19)21-6-5-15-31-21)12-9-18-7-10-20(11-8-18)32(27,28)25-13-3-1-2-4-14-25/h5-12,15,17H,1-4,13-14,16H2/b12-9+