methyl 4-methyl-2-(2-thiophen-2-ylsulfanylethanoylamino)pentanoate

Systemtic Name: methyl 4-methyl-2-(2-thiophen-2-ylsulfanylethanoylamino)pentanoate Openeye Name: methyl 4-methyl-2-[[2-(2-thienylsulfanyl)acetyl]amino]pentanoate CAS Name: 4-methyl-2-[[1-oxo-2-(thiophen-2-ylthio)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoate Traditional Name: 4-methyl-2-[[2-(2-thienylthio)acetyl]amino]valeric acid methyl ester Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=CC=CS1

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CSC1=CC=CS1

InChI

InChI=1S/C13H19NO3S2/c1-9(2)7-10(13(16)17-3)14-11(15)8-19-12-5-4-6-18-12/h4-6,9-10H,7-8H2,1-3H3,(H,14,15)