methyl 4-(4-fluorophenyl)-2-(heptanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-(heptanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-(heptanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-(1-oxoheptylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-(heptanoylamino)thiophene-3-carboxylate Traditional Name: 2-(enanthylamino)-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C19H22FNO3S MolecularWeight: 363.446283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C19H22FNO3S/c1-3-4-5-6-7-16(22)21-18-17(19(23)24-2)15(12-25-18)13-8-10-14(20)11-9-13/h8-12H,3-7H2,1-2H3,(H,21,22)