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

Systemtic Name: ethyl 4-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-4-25-18(24)13-5-7-14(8-6-13)19-16(22)10-27-12(3)17(23)20-15-9-11(2)26-21-15/h5-9,12H,4,10H2,1-3H3,(H,19,22)(H,20,21,23)