(4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propenoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C20H19ClO5S MolecularWeight: 406.87986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=CC(=O)OCCCC(=O)C3=CC=CS3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C/C(=O)OCCCC(=O)C3=CC=CS3)Cl)OC1

InChI

InChI=1S/C20H19ClO5S/c21-15-12-14(13-17-20(15)26-10-3-9-24-17)6-7-19(23)25-8-1-4-16(22)18-5-2-11-27-18/h2,5-7,11-13H,1,3-4,8-10H2/b7-6+