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

Systemtic Name: [4-(2-azaniumylethyl)-1,3-thiazol-2-yl]-(3-methylphenyl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [4-(2-azaniumylethyl)thiazol-2-yl]-(m-tolyl)ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [4-(2-ammonioethyl)-2-thiazolyl]-(3-methylphenyl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [4-(2-azaniumylethyl)-1,3-thiazol-2-yl]-(3-methylphenyl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [4-(2-ammonioethyl)thiazol-2-yl]-(m-tolyl)ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C20H23N3O8S MolecularWeight: 465.47692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[NH2+]C2=NC(=CS2)CC[NH3+].C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=CC=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/C12H15N3S.2C4H4O4/c1-9-3-2-4-10(7-9)14-12-15-11(5-6-13)8-16-12;2*5-3(6)1-2-4(7)8/h2-4,7-8H,5-6,13H2,1H3,(H,14,15);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-