methyl (2R)-2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H20N2O3S2/c1-10(2)8-12(15(20)21-3)17-14(19)9-22-16-18-11-6-4-5-7-13(11)23-16/h4-7,10,12H,8-9H2,1-3H3,(H,17,19)/t12-/m1/s1