(2S,4S)-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-(6-methyl-1,3-benzodioxol-5-yl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-(6-methyl-1,3-benzodioxol-5-yl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-(6-methyl-1,3-benzodioxol-5-yl)thiazolidin-3-ium-4-carboxylate Formula: C12H13NO4S MolecularWeight: 267.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C3[NH2+]C(CS3)C(=O)[O-])OCO2

Isomeric SMILES

CC1=CC2=C(C=C1[C@H]3[NH2+][C@H](CS3)C(=O)[O-])OCO2

InChI

InChI=1S/C12H13NO4S/c1-6-2-9-10(17-5-16-9)3-7(6)11-13-8(4-18-11)12(14)15/h2-3,8,11,13H,4-5H2,1H3,(H,14,15)/t8-,11+/m1/s1