methyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-fluorophenyl)acryloyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H18FNO3S MolecularWeight: 395.446623

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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)OC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H18FNO3S/c1-14-19(16-6-4-3-5-7-16)20(22(26)27-2)21(28-14)24-18(25)13-10-15-8-11-17(23)12-9-15/h3-13H,1-2H3,(H,24,25)