sodium (E)-[(5-methyl-1,3-thiazol-2-yl)amino]-[2-methyl-1,1,4-tris(oxidanylidene)-1$l^{6},2-benzothiazin-3-ylidene]methanolate hydrate

Systemtic Name: sodium (E)-[(5-methyl-1,3-thiazol-2-yl)amino]-[2-methyl-1,1,4-tris(oxidanylidene)-1$l^{6},2-benzothiazin-3-ylidene]methanolate hydrate Openeye Name: sodium (E)-[(5-methylthiazol-2-yl)amino]-(2-methyl-1,1,4-trioxo-1$l^{6},2-benzothiazin-3-ylidene)methanolate hydrate CAS Name: sodium (E)-[(5-methyl-2-thiazolyl)amino]-(2-methyl-1,1,4-trioxo-1$l^{6},2-benzothiazin-3-ylidene)methanolate hydrate IUPAC Name: sodium (E)-[(5-methyl-1,3-thiazol-2-yl)amino]-(2-methyl-1,1,4-trioxo-1$l^{6},2-benzothiazin-3-ylidene)methanolate hydrate Traditional Name: sodium (E)-[(5-methylthiazol-2-yl)amino]-(1,1,4-triketo-2-methyl-1$l^{6},2-benzothiazin-3-ylidene)methanolate hydrate Formula: C14H14N3NaO5S2 MolecularWeight: 391.39783

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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;/p-1/b13-11+;;