2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbutanedioic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbutanedioic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylbutanedioic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]butanedioic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]succinic acid Formula: C13H13NO7S MolecularWeight: 327.30982

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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)CSC(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)