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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H10BrNO5S MolecularWeight: 420.234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10BrNO5S/c18-16-4-3-15(25-16)12(20)8-22-17(21)11(7-19)5-10-1-2-13-14(6-10)24-9-23-13/h1-6H,8-9H2