methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N)C(=O)OC

InChI

InChI=1S/C20H18N2O5S/c1-3-4-14-9-15(20(24)25-2)19(28-14)22-18(23)13(10-21)7-12-5-6-16-17(8-12)27-11-26-16/h5-9H,3-4,11H2,1-2H3,(H,22,23)/b13-7+