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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=C(C(=C(S1)NC(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N)C#N)C

Isomeric SMILES

CCNC(=O)C1=C(C(=C(S1)NC(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C#N)C#N)C

InChI

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