3-(1H-benzimidazol-2-ylsulfanyl)-4-(ethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-4-(ethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-4-(ethylamino)-4-oxo-butanoic acid CAS Name: 3-(1H-benzimidazol-2-ylthio)-4-(ethylamino)-4-oxobutanoic acid IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-4-(ethylamino)-4-oxobutanoic acid Traditional Name: 3-(1H-benzimidazol-2-ylthio)-4-(ethylamino)-4-keto-butyric acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(CC(=O)O)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCNC(=O)C(CC(=O)O)SC1=NC2=CC=CC=C2N1

InChI

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