sodium (3E)-2-methyl-3-[[(5-methyl-1,3-thiazol-2-yl)amino]-oxidanyl-methylidene]-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-one hydrate

Systemtic Name: sodium (3E)-2-methyl-3-[[(5-methyl-1,3-thiazol-2-yl)amino]-oxidanyl-methylidene]-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-one hydrate Openeye Name: sodium (3E)-3-[hydroxy-[(5-methylthiazol-2-yl)amino]methylene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one hydrate CAS Name: sodium (3E)-3-[hydroxy-[(5-methyl-2-thiazolyl)amino]methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one hydrate IUPAC Name: sodium (3E)-3-[hydroxy-[(5-methyl-1,3-thiazol-2-yl)amino]methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one hydrate Traditional Name: sodium (3E)-3-[hydroxy-[(5-methylthiazol-2-yl)amino]methylene]-1,1-diketo-2-methyl-1$l^{6},2-benzothiazin-4-one hydrate Formula: C14H15N3NaO5S2+ MolecularWeight: 392.40577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=C2C(=O)C3=CC=CC=C3S(=O)(=O)N2C)O.O.[Na+]

Isomeric SMILES

CC1=CN=C(S1)N/C(=C\2/C(=O)C3=CC=CC=C3S(=O)(=O)N2C)/O.O.[Na+]

InChI

InChI=1S/C14H13N3O4S2.Na.H2O/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2;;/h3-7,19H,1-2H3,(H,15,16);;1H2/q;+1;/b13-11+;;