(2S)-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]butanedioic acid

Systemtic Name: (2S)-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]butanedioic acid Openeye Name: (2S)-2-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]butanedioic acid CAS Name: (2S)-2-[(1,3-dioxo-2-isoindolyl)methylthio]butanedioic acid IUPAC Name: (2S)-2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]butanedioic acid Traditional Name: (2S)-2-(phthalimidomethylthio)succinic acid Formula: C13H11NO6S MolecularWeight: 309.29454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CS[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C13H11NO6S/c15-10(16)5-9(13(19)20)21-6-14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9H,5-6H2,(H,15,16)(H,19,20)/t9-/m0/s1