butyl 4-[2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-carbamoyl-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridyl)thio]acetyl]amino]benzoic acid butyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=C2C(=O)N)C)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=C2C(=O)N)C)C)C

InChI

InChI=1S/C22H27N3O4S/c1-5-6-11-29-22(28)16-7-9-17(10-8-16)25-18(26)12-30-21-19(20(23)27)14(3)13(2)15(4)24-21/h7-10H,5-6,11-12H2,1-4H3,(H2,23,27)(H,25,26)