(E)-3-(4-bromanylthiophen-2-yl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-bromanylthiophen-2-yl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Openeye Name: (E)-3-(4-bromo-2-thienyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide CAS Name: (E)-3-(4-bromo-2-thiophenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide IUPAC Name: (E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Traditional Name: (E)-3-(4-bromo-2-thienyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylamide Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C(=CC3=CC(=CS3)Br)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)/C(=C/C3=CC(=CS3)Br)/C#N

InChI

InChI=1S/C16H11BrN2O3S/c17-11-6-13(23-9-11)5-10(8-18)16(20)19-12-1-2-14-15(7-12)22-4-3-21-14/h1-2,5-7,9H,3-4H2,(H,19,20)/b10-5+