(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C20H17NO5S MolecularWeight: 383.41768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)OCC3=NOC(=C3)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)OCC3=NOC(=C3)C4=CC=CS4)OC1

InChI

InChI=1S/C20H17NO5S/c22-20(25-13-15-12-18(26-21-15)19-3-1-10-27-19)7-5-14-4-6-16-17(11-14)24-9-2-8-23-16/h1,3-7,10-12H,2,8-9,13H2/b7-5+