3-[5-[(E)-2-benzamido-3-oxidanyl-3-oxidanylidene-prop-1-enyl]furan-2-yl]-4-methyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[5-[(E)-2-benzamido-3-oxidanyl-3-oxidanylidene-prop-1-enyl]furan-2-yl]-4-methyl-thiophene-2-carboxylic acid Openeye Name: 3-[5-[(E)-2-benzamido-3-hydroxy-3-oxo-prop-1-enyl]-2-furyl]-4-methyl-thiophene-2-carboxylic acid CAS Name: 3-[5-[(E)-2-benzamido-3-hydroxy-3-oxoprop-1-enyl]-2-furanyl]-4-methyl-2-thiophenecarboxylic acid IUPAC Name: 3-[5-[(E)-2-benzamido-3-hydroxy-3-oxoprop-1-enyl]furan-2-yl]-4-methylthiophene-2-carboxylic acid Traditional Name: 3-[5-[(E)-2-benzamido-3-hydroxy-3-keto-prop-1-enyl]-2-furyl]-4-methyl-2-thenoic acid Formula: C20H15NO6S MolecularWeight: 397.4012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1C2=CC=C(O2)C=C(C(=O)O)NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CSC(=C1C2=CC=C(O2)/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H15NO6S/c1-11-10-28-17(20(25)26)16(11)15-8-7-13(27-15)9-14(19(23)24)21-18(22)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,22)(H,23,24)(H,25,26)/b14-9+