ethyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(N1CC)C=CC(=C2)C(=O)OCC

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=C(N1CC)C=CC(=C2)C(=O)OCC

InChI

InChI=1S/C18H25N3O3S/c1-5-12(4)19-16(22)11-25-18-20-14-10-13(17(23)24-7-3)8-9-15(14)21(18)6-2/h8-10,12H,5-7,11H2,1-4H3,(H,19,22)/t12-/m0/s1