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

Systemtic Name: propan-2-yl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C21H23NO5S/c1-5-15-13(4)28-20(19(15)21(24)27-12(2)3)22-18(23)9-7-14-6-8-16-17(10-14)26-11-25-16/h6-10,12H,5,11H2,1-4H3,(H,22,23)/b9-7+