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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-(1,3-benzodioxol-5-yl)-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(=O)COC(=O)C=CC3=CC=C(S3)Br

Isomeric SMILES

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

InChI

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