methyl 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=C(N1)C=C(C=C2)OCC

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=C(N1)C=C(C=C2)OCC

InChI

InChI=1S/C18H25N3O4S/c1-5-11(3)16(17(23)24-4)21-15(22)10-26-18-19-13-8-7-12(25-6-2)9-14(13)20-18/h7-9,11,16H,5-6,10H2,1-4H3,(H,19,20)(H,21,22)