1H-benzimidazol-2-ylsulfanyl 4-(ethylamino)-4-oxidanylidene-butanoate

Systemtic Name: 1H-benzimidazol-2-ylsulfanyl 4-(ethylamino)-4-oxidanylidene-butanoate Openeye Name: 1H-benzimidazol-2-ylsulfanyl 4-(ethylamino)-4-oxo-butanoate CAS Name: 4-(ethylamino)-4-oxobutanoic acid (1H-benzimidazol-2-ylthio) ester IUPAC Name: 1H-benzimidazol-2-ylsulfanyl 4-(ethylamino)-4-oxobutanoate Traditional Name: 4-(ethylamino)-4-keto-butyric acid (1H-benzimidazol-2-ylthio) ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CCC(=O)OSC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCNC(=O)CCC(=O)OSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C13H15N3O3S/c1-2-14-11(17)7-8-12(18)19-20-13-15-9-5-3-4-6-10(9)16-13/h3-6H,2,7-8H2,1H3,(H,14,17)(H,15,16)