propyl 2-chloranyl-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: propyl 2-chloranyl-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: propyl 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC(=CC(=N2)C)C)Cl

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC(=CC(=N2)C)C)Cl

InChI

InChI=1S/C18H20ClN3O3S/c1-4-7-25-17(24)14-9-13(5-6-15(14)19)22-16(23)10-26-18-20-11(2)8-12(3)21-18/h5-6,8-9H,4,7,10H2,1-3H3,(H,22,23)