ethyl 4-[2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(p-tolylmethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-[(4-methylphenyl)methyl]-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(4-methylbenzyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=C(C=C3)C

InChI

InChI=1S/C22H23N3O3S/c1-3-28-21(27)18-8-10-19(11-9-18)24-20(26)15-29-22-23-12-13-25(22)14-17-6-4-16(2)5-7-17/h4-13H,3,14-15H2,1-2H3,(H,24,26)