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

Systemtic Name: propan-2-yl 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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