butyl 4-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=NOC(=C2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C20H25N3O5S/c1-4-5-10-27-20(26)15-6-8-16(9-7-15)21-18(24)12-29-14(3)19(25)22-17-11-13(2)28-23-17/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,21,24)(H,22,23,25)