methyl 2-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(5-ethyl-2-thienyl)methylamino]-3-methyl-butanoate CAS Name: 2-[(5-ethyl-2-thiophenyl)methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(5-ethylthiophen-2-yl)methylamino]-3-methylbutanoate Traditional Name: 2-[(5-ethyl-2-thienyl)methylamino]-3-methyl-butyric acid methyl ester Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CNC(C(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC=C(S1)CNC(C(C)C)C(=O)OC

InChI

InChI=1S/C13H21NO2S/c1-5-10-6-7-11(17-10)8-14-12(9(2)3)13(15)16-4/h6-7,9,12,14H,5,8H2,1-4H3