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

Systemtic Name: methyl (2R)-2-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C18H24N4O3S2 MolecularWeight: 408.53816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NN=C(N1C2CC2)C3=CC=CS3

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NN=C(N1C2CC2)C3=CC=CS3

InChI

InChI=1S/C18H24N4O3S2/c1-11(2)9-13(17(24)25-3)19-15(23)10-27-18-21-20-16(14-5-4-8-26-14)22(18)12-6-7-12/h4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,19,23)/t13-/m1/s1