methyl 2-[1-(5-chloranylthiophen-2-yl)ethylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[1-(5-chloranylthiophen-2-yl)ethylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[1-(5-chloro-2-thienyl)ethylamino]-3-methyl-pentanoate CAS Name: 2-[1-(5-chloro-2-thiophenyl)ethylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylpentanoate Traditional Name: 2-[1-(5-chloro-2-thienyl)ethylamino]-3-methyl-valeric acid methyl ester Formula: C13H20ClNO2S MolecularWeight: 289.8214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(C)C1=CC=C(S1)Cl

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(C)C1=CC=C(S1)Cl

InChI

InChI=1S/C13H20ClNO2S/c1-5-8(2)12(13(16)17-4)15-9(3)10-6-7-11(14)18-10/h6-9,12,15H,5H2,1-4H3