ethyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H19NO6S/c1-4-25-20(24)17-11(2)18(12(3)22)28-19(17)21-16(23)8-6-13-5-7-14-15(9-13)27-10-26-14/h5-9H,4,10H2,1-3H3,(H,21,23)/b8-6+