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

Systemtic Name: propyl 4-[2-[2-[(5-bromanylfuran-2-yl)carbonylamino]-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[2-[(5-bromofuran-2-carbonyl)amino]thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-4-thiazolyl]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[2-[(5-bromofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(5-bromo-2-furoyl)amino]thiazol-4-yl]acetyl]amino]benzoic acid propyl ester Formula: C20H18BrN3O5S MolecularWeight: 492.34302

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C20H18BrN3O5S/c1-2-9-28-19(27)12-3-5-13(6-4-12)22-17(25)10-14-11-30-20(23-14)24-18(26)15-7-8-16(21)29-15/h3-8,11H,2,9-10H2,1H3,(H,22,25)(H,23,24,26)