ethyl 5-azanyl-3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H16N2O6S/c1-2-24-19(23)17-13(12(8-20)18(21)28-17)9-25-16(22)6-4-11-3-5-14-15(7-11)27-10-26-14/h3-7H,2,9-10,21H2,1H3/b6-4+