3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-5-phenyl-2-thenoic acid Formula: C21H15NO5S MolecularWeight: 393.4125

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H15NO5S/c23-19(9-7-13-6-8-16-17(10-13)27-12-26-16)22-15-11-18(28-20(15)21(24)25)14-4-2-1-3-5-14/h1-11H,12H2,(H,22,23)(H,24,25)/b9-7+