[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H11BrO5S MolecularWeight: 395.22454

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H11BrO5S/c17-15-5-4-14(23-15)11(18)8-20-16(19)6-2-10-1-3-12-13(7-10)22-9-21-12/h1-7H,8-9H2/b6-2+