ethyl 4-[2-(1-phenylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(1-phenylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1-phenyl-2-imidazolyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-phenylimidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-2-26-19(25)15-8-10-16(11-9-15)22-18(24)14-27-20-21-12-13-23(20)17-6-4-3-5-7-17/h3-13H,2,14H2,1H3,(H,22,24)