4-benzamido-5-[(2-methylsulfanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]oxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-benzamido-5-[(2-methylsulfanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]oxy-5-oxidanylidene-pentanoic acid Openeye Name: 4-benzamido-5-[(2-methylsulfanyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]oxy-5-oxo-pentanoic acid CAS Name: 4-benzamido-5-[[2-(methylthio)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]oxy-5-oxopentanoic acid IUPAC Name: 4-benzamido-5-[(2-methylsulfanyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]oxy-5-oxopentanoic acid Traditional Name: 4-benzamido-5-keto-5-[[4-keto-2-(methylthio)-1H-quinazolin-6-yl]methyl-propargyl-amino]oxy-valeric acid Formula: C25H24N4O6S MolecularWeight: 508.54626

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)OC(=O)C(CCC(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)OC(=O)C(CCC(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24N4O6S/c1-3-13-29(15-16-9-10-19-18(14-16)23(33)28-25(27-19)36-2)35-24(34)20(11-12-21(30)31)26-22(32)17-7-5-4-6-8-17/h1,4-10,14,20H,11-13,15H2,2H3,(H,26,32)(H,30,31)(H,27,28,33)