butyl 4-[2-[2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]-1,3-thiazol-4-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]-4-thiazolyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(pyroglutamoylamino)thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)C3CCC(=O)N3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)C3CCC(=O)N3

InChI

InChI=1S/C21H24N4O5S/c1-2-3-10-30-20(29)13-4-6-14(7-5-13)22-18(27)11-15-12-31-21(23-15)25-19(28)16-8-9-17(26)24-16/h4-7,12,16H,2-3,8-11H2,1H3,(H,22,27)(H,24,26)(H,23,25,28)