4-azanyl-5-oxidanylidene-5-[4-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfanylmethyl]phenyl]pentanoic acid

Systemtic Name: 4-azanyl-5-oxidanylidene-5-[4-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfanylmethyl]phenyl]pentanoic acid Openeye Name: 4-amino-5-oxo-5-[4-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfanylmethyl]phenyl]pentanoic acid CAS Name: 4-amino-5-oxo-5-[4-[[(3-oxo-4H-1,4-benzoxazin-7-yl)thio]methyl]phenyl]pentanoic acid IUPAC Name: 4-amino-5-oxo-5-[4-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfanylmethyl]phenyl]pentanoic acid Traditional Name: 4-amino-5-keto-5-[4-[[(3-keto-4H-1,4-benzoxazin-7-yl)thio]methyl]phenyl]valeric acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=C(C=C2)SCC3=CC=C(C=C3)C(=O)C(CCC(=O)O)N

Isomeric SMILES

C1C(=O)NC2=C(O1)C=C(C=C2)SCC3=CC=C(C=C3)C(=O)C(CCC(=O)O)N

InChI

InChI=1S/C20H20N2O5S/c21-15(6-8-19(24)25)20(26)13-3-1-12(2-4-13)11-28-14-5-7-16-17(9-14)27-10-18(23)22-16/h1-5,7,9,15H,6,8,10-11,21H2,(H,22,23)(H,24,25)