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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3-fluorophenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(3-fluorophenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-fluorophenyl)-1-oxoprop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3-fluorophenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-fluorophenyl)acryloyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H13FN2O3S MolecularWeight: 344.360123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=CC=C2)F)/C#N)C(=O)OC

InChI

InChI=1S/C17H13FN2O3S/c1-10-6-14(17(22)23-2)16(24-10)20-15(21)12(9-19)7-11-4-3-5-13(18)8-11/h3-8H,1-2H3,(H,20,21)/b12-7+