2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid

Systemtic Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid Openeye Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid CAS Name: 2-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid IUPAC Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-methyl-4-phenylthiophene-3-carboxylic acid Traditional Name: 2-[[(E)-3-(4-fluorophenyl)acryloyl]amino]-5-methyl-4-phenyl-3-thenoic acid Formula: C21H16FNO3S MolecularWeight: 381.420043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)F)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)F)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H16FNO3S/c1-13-18(15-5-3-2-4-6-15)19(21(25)26)20(27-13)23-17(24)12-9-14-7-10-16(22)11-8-14/h2-12H,1H3,(H,23,24)(H,25,26)/b12-9+