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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: (2-amino-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-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetic acid (2-amino-2-keto-ethyl) ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC(=O)OCC(=O)N

InChI

InChI=1S/C18H16ClN3O3S/c19-13-6-7-15-14(8-13)21-18(26-11-17(24)25-10-16(20)23)22(15)9-12-4-2-1-3-5-12/h1-8H,9-11H2,(H2,20,23)