ethyl 3-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O4S/c1-3-28-20(26)15-5-4-6-16(13-15)23-19(25)14-29-21-22-11-12-24(21)17-7-9-18(27-2)10-8-17/h4-13H,3,14H2,1-2H3,(H,23,25)