butyl 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C

InChI

InChI=1S/C17H21N3O3S/c1-3-4-11-23-16(22)13-5-7-14(8-6-13)19-15(21)12-24-17-18-9-10-20(17)2/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)