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

Systemtic Name: ethyl 2-[[(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H13BrN2O5S MolecularWeight: 449.27522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C#N

InChI

InChI=1S/C18H13BrN2O5S/c1-2-24-18(23)12-3-4-27-17(12)21-16(22)11(8-20)5-10-6-14-15(7-13(10)19)26-9-25-14/h3-7H,2,9H2,1H3,(H,21,22)/b11-5+