4-[(2E)-2-[(E)-3-cyano-3-methylsulfonyl-prop-2-enylidene]-1,3-thiazolidin-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[(2E)-2-[(E)-3-cyano-3-methylsulfonyl-prop-2-enylidene]-1,3-thiazolidin-3-yl]butane-1-sulfonic acid Openeye Name: 4-[(2E)-2-[(E)-3-cyano-3-methylsulfonyl-prop-2-enylidene]thiazolidin-3-yl]butane-1-sulfonic acid CAS Name: 4-[(2E)-2-[(E)-3-cyano-3-methylsulfonylprop-2-enylidene]-3-thiazolidinyl]-1-butanesulfonic acid IUPAC Name: 4-[(2E)-2-[(E)-3-cyano-3-methylsulfonylprop-2-enylidene]-1,3-thiazolidin-3-yl]butane-1-sulfonic acid Traditional Name: 4-[(2E)-2-[(E)-3-cyano-3-mesyl-prop-2-enylidene]thiazolidin-3-yl]butane-1-sulfonic acid Formula: C12H18N2O5S3 MolecularWeight: 366.47672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC=C1N(CCS1)CCCCS(=O)(=O)O)C#N

Isomeric SMILES

CS(=O)(=O)/C(=C/C=C/1\N(CCS1)CCCCS(=O)(=O)O)/C#N

InChI

InChI=1S/C12H18N2O5S3/c1-21(15,16)11(10-13)4-5-12-14(7-8-20-12)6-2-3-9-22(17,18)19/h4-5H,2-3,6-9H2,1H3,(H,17,18,19)/b11-4+,12-5+