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

Systemtic Name: propan-2-yl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C

InChI

InChI=1S/C20H18N2O5S/c1-11(2)27-20(24)18-12(3)14(9-21)19(28-18)22-17(23)7-5-13-4-6-15-16(8-13)26-10-25-15/h4-8,11H,10H2,1-3H3,(H,22,23)/b7-5+