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

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] (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 (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) (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 [4-keto-4-(2-thienyl)butyl] ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O5S/c21-16(19-5-2-13-26-19)4-1-10-25-20(22)9-7-15-6-8-17-18(14-15)24-12-3-11-23-17/h2,5-9,13-14H,1,3-4,10-12H2/b9-7+