[1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: [1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: [2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid [1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylamino)-1-oxopropan-2-yl] 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetic acid [2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl

Isomeric SMILES

CCNC(=O)C(C)OC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-3-23-20(27)14(2)28-19(26)13-29-21-24-17-11-16(22)9-10-18(17)25(21)12-15-7-5-4-6-8-15/h4-11,14H,3,12-13H2,1-2H3,(H,23,27)