(2S)-2-[[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]sulfanyl]butanedioate

Systemtic Name: (2S)-2-[[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]sulfanyl]butanedioate Openeye Name: (2S)-2-[[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]sulfanyl]butanedioate CAS Name: (2S)-2-[[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]thio]butanedioate IUPAC Name: (2S)-2-[[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]sulfanyl]butanedioate Traditional Name: (2S)-2-[[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]thio]succinate Formula: C11H9NO4S2-2 MolecularWeight: 283.32346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(S2)SC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N[C@@H](S2)S[C@@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H11NO4S2/c13-9(14)5-8(10(15)16)18-11-12-6-3-1-2-4-7(6)17-11/h1-4,8,11-12H,5H2,(H,13,14)(H,15,16)/p-2/t8-,11-/m0/s1