ethyl 4-[2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3S/c1-3-25-17(24)8-5-9-20-16(23)12-26-18-21-10-11-22(18)15-7-4-6-14(19)13(15)2/h4,6-7,10-11H,3,5,8-9,12H2,1-2H3,(H,20,23)