5-[[(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]-4-cyano-N,N,3-trimethyl-thiophene-2-carboxamide

Systemtic Name: 5-[[(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]-4-cyano-N,N,3-trimethyl-thiophene-2-carboxamide Openeye Name: 5-[[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]-4-cyano-N,N,3-trimethyl-thiophene-2-carboxamide CAS Name: 5-[[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]amino]-4-cyano-N,N,3-trimethyl-2-thiophenecarboxamide IUPAC Name: 5-[[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]-4-cyano-N,N,3-trimethylthiophene-2-carboxamide Traditional Name: 5-[[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-acryloyl]amino]-4-cyano-N,N,3-trimethyl-thiophene-2-carboxamide Formula: C20H15BrN4O4S MolecularWeight: 487.3265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C#N)C(=O)N(C)C

InChI

InChI=1S/C20H15BrN4O4S/c1-10-13(8-23)19(30-17(10)20(27)25(2)3)24-18(26)12(7-22)4-11-5-15-16(6-14(11)21)29-9-28-15/h4-6H,9H2,1-3H3,(H,24,26)/b12-4+