(E)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[(6-mesyl-1,3-benzothiazol-2-yl)amino]but-2-enoic acid Formula: C12H10N2O5S2 MolecularWeight: 326.3482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H10N2O5S2/c1-21(18,19)7-2-3-8-9(6-7)20-12(13-8)14-10(15)4-5-11(16)17/h2-6H,1H3,(H,16,17)(H,13,14,15)/b5-4+