(3-chloranyl-1-benzothiophen-2-yl)methyl 3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 3-(3-ethyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-ethyl-2-oxo-1-benzimidazolyl)propanoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(3-ethyl-2-keto-benzimidazol-1-yl)propionic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-2-23-15-8-4-5-9-16(15)24(21(23)26)12-11-19(25)27-13-18-20(22)14-7-3-6-10-17(14)28-18/h3-10H,2,11-13H2,1H3