methyl 4-(4-fluorophenyl)-5-methyl-2-(3-methylbut-2-enoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-5-methyl-2-(3-methylbut-2-enoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-5-methyl-2-(3-methylbut-2-enoylamino)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-5-methyl-2-[(3-methyl-1-oxobut-2-enyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-5-methyl-2-(3-methylbut-2-enoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-5-methyl-2-(3-methylbut-2-enoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FNO3S/c1-10(2)9-14(21)20-17-16(18(22)23-4)15(11(3)24-17)12-5-7-13(19)8-6-12/h5-9H,1-4H3,(H,20,21)