(2R)-2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbutanedioic acid

Systemtic Name: (2R)-2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbutanedioic acid Openeye Name: (2R)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbutanedioic acid CAS Name: (2R)-2-[[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thio]butanedioic acid IUPAC Name: (2R)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbutanedioic acid Traditional Name: (2R)-2-[[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]thio]succinic acid Formula: C14H13NO7S MolecularWeight: 339.32052

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC(CC(=O)O)C(=O)O

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CS[C@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C14H13NO7S/c16-9(6-23-11(14(20)21)4-13(18)19)7-1-2-10-8(3-7)15-12(17)5-22-10/h1-3,11H,4-6H2,(H,15,17)(H,18,19)(H,20,21)/t11-/m1/s1