methyl 5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(3-fluorophenyl)acryloyl]amino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C16H14FNO3S MolecularWeight: 319.350663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C=CC2=CC(=CC=C2)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)/C=C/C2=CC(=CC=C2)F)C(=O)OC

InChI

InChI=1S/C16H14FNO3S/c1-10-8-14(22-15(10)16(20)21-2)18-13(19)7-6-11-4-3-5-12(17)9-11/h3-9H,1-2H3,(H,18,19)/b7-6+