methyl 2-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H24N4O3S2 MolecularWeight: 396.52746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN=C(N1CC)C2=CC=CS2

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN=C(N1CC)C2=CC=CS2

InChI

InChI=1S/C17H24N4O3S2/c1-5-11(3)14(16(23)24-4)18-13(22)10-26-17-20-19-15(21(17)6-2)12-8-7-9-25-12/h7-9,11,14H,5-6,10H2,1-4H3,(H,18,22)