[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C19H19ClN4O3S/c1-2-10-24-15-8-4-3-6-13(15)23-19(24)28-12-17(26)27-11-16(25)22-14-7-5-9-21-18(14)20/h3-9H,2,10-12H2,1H3,(H,22,25)