methyl 2-[1-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-[2-(cyclopentylamino)-2-oxo-ethyl]benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[2-(cyclopentylamino)-2-oxoethyl]-2-benzimidazolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[2-(cyclopentylamino)-2-keto-ethyl]benzimidazol-2-yl]thio]acetic acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2N1CC(=O)NC3CCCC3

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2N1CC(=O)NC3CCCC3

InChI

InChI=1S/C17H21N3O3S/c1-23-16(22)11-24-17-19-13-8-4-5-9-14(13)20(17)10-15(21)18-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,21)