ethyl 4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[1-(3-chlorophenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[1-(3-chlorophenyl)imidazol-2-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC=CN1C2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC=CN1C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H20ClN3O3S/c1-2-24-16(23)7-4-8-19-15(22)12-25-17-20-9-10-21(17)14-6-3-5-13(18)11-14/h3,5-6,9-11H,2,4,7-8,12H2,1H3,(H,19,22)