methyl 2-[2-[5-(4-chlorophenyl)-1-prop-2-enyl-imidazol-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[5-(4-chlorophenyl)-1-prop-2-enyl-imidazol-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[1-allyl-5-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[5-(4-chlorophenyl)-1-prop-2-enyl-2-imidazolyl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[1-allyl-5-(4-chlorophenyl)imidazol-2-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC=C(N1CC=C)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC=C(N1CC=C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClN3O3S/c1-3-8-21-14(12-4-6-13(18)7-5-12)9-20-17(21)25-11-15(22)19-10-16(23)24-2/h3-7,9H,1,8,10-11H2,2H3,(H,19,22)