[4-(2-azaniumylethyl)-1,3-thiazol-2-yl]-phenyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [4-(2-azaniumylethyl)-1,3-thiazol-2-yl]-phenyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [4-(2-azaniumylethyl)thiazol-2-yl]-phenyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [4-(2-ammonioethyl)-2-thiazolyl]-phenylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [4-(2-azaniumylethyl)-1,3-thiazol-2-yl]-phenylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [4-(2-ammonioethyl)thiazol-2-yl]-phenyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH2+]C2=NC(=CS2)CC[NH3+].C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[NH2+]C2=NC(=CS2)CC[NH3+].C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C11H13N3S.2C4H4O4/c12-7-6-10-8-15-11(14-10)13-9-4-2-1-3-5-9;2*5-3(6)1-2-4(7)8/h1-5,8H,6-7,12H2,(H,13,14);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-