[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O4S/c1-2-10-24-21(30)26-19(28)13-31-20(29)14-32-22-25-17-11-16(23)8-9-18(17)27(22)12-15-6-4-3-5-7-15/h2-9,11H,1,10,12-14H2,(H2,24,26,28,30)