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

Systemtic Name: (E)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[(6-mesyl-1,3-benzothiazol-2-yl)amino]but-2-enoate Formula: C12H9N2O5S2- MolecularWeight: 325.34026

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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)/p-1/b5-4+