(2R)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbutanedioate

Systemtic Name: (2R)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbutanedioate Openeye Name: (2R)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylbutanedioate CAS Name: (2R)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]butanedioate IUPAC Name: (2R)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbutanedioate Traditional Name: (2R)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]succinate Formula: C13H11NO7S-2 MolecularWeight: 325.29394

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CS[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H13NO7S/c15-11(5-22-10(13(18)19)4-12(16)17)14-7-1-2-8-9(3-7)21-6-20-8/h1-3,10H,4-6H2,(H,14,15)(H,16,17)(H,18,19)/p-2/t10-/m1/s1