methyl 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[1-(2,5-dimethyl-3-thienyl)ethylamino]-4-fluoro-benzoate CAS Name: 3-[1-(2,5-dimethyl-3-thiophenyl)ethylamino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-4-fluorobenzoate Traditional Name: 3-[1-(2,5-dimethyl-3-thienyl)ethylamino]-4-fluoro-benzoic acid methyl ester Formula: C16H18FNO2S MolecularWeight: 307.383023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(C)NC2=C(C=CC(=C2)C(=O)OC)F

Isomeric SMILES

CC1=CC(=C(S1)C)C(C)NC2=C(C=CC(=C2)C(=O)OC)F

InChI

InChI=1S/C16H18FNO2S/c1-9-7-13(11(3)21-9)10(2)18-15-8-12(16(19)20-4)5-6-14(15)17/h5-8,10,18H,1-4H3