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

Systemtic Name: methyl 4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]benzoate Openeye Name: methyl 4-[[1-(2,5-dimethyl-3-thienyl)ethylamino]methyl]benzoate CAS Name: 4-[[1-(2,5-dimethyl-3-thiophenyl)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]benzoate Traditional Name: 4-[[1-(2,5-dimethyl-3-thienyl)ethylamino]methyl]benzoic acid methyl ester Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(C)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)C)C(C)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H21NO2S/c1-11-9-16(13(3)21-11)12(2)18-10-14-5-7-15(8-6-14)17(19)20-4/h5-9,12,18H,10H2,1-4H3