methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C16H21N3O3S/c1-4-10(2)14(15(21)22-3)19-13(20)9-23-16-17-11-7-5-6-8-12(11)18-16/h5-8,10,14H,4,9H2,1-3H3,(H,17,18)(H,19,20)