[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate CAS Name: 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1H-benzimidazol-2-ylthio)butyric acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C16H19N3O5S MolecularWeight: 365.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C16H19N3O5S/c1-2-23-16(22)19-13(20)10-24-14(21)8-5-9-25-15-17-11-6-3-4-7-12(11)18-15/h3-4,6-7H,2,5,8-10H2,1H3,(H,17,18)(H,19,20,22)