propyl 3-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: propyl 3-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: propyl 3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C

InChI

InChI=1S/C16H19N3O3S/c1-3-9-22-15(21)12-5-4-6-13(10-12)18-14(20)11-23-16-17-7-8-19(16)2/h4-8,10H,3,9,11H2,1-2H3,(H,18,20)