[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]phenyl] ester Formula: C21H14O5S MolecularWeight: 378.39786

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)OC(=O)C4=CC=CS4

InChI

InChI=1S/C21H14O5S/c22-17(9-3-14-4-10-18-19(12-14)25-13-24-18)15-5-7-16(8-6-15)26-21(23)20-2-1-11-27-20/h1-12H,13H2/b9-3+