4-[(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)oxy]-1-(1,3-thiazol-5-yl)butane-2-sulfinate

Systemtic Name: 4-[(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)oxy]-1-(1,3-thiazol-5-yl)butane-2-sulfinate Openeye Name: 4-[(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]-1-thiazol-5-yl-butane-2-sulfinate CAS Name: 4-[(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]-1-(5-thiazolyl)-2-butanesulfinate IUPAC Name: 4-[(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]-1-(1,3-thiazol-5-yl)butane-2-sulfinate Traditional Name: 4-[(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)oxy]-1-thiazol-5-yl-butane-2-sulfinate Formula: C17H19N2O5S2- MolecularWeight: 395.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCC(CC3=CN=CS3)S(=O)[O-])NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCC(CC3=CN=CS3)S(=O)[O-])NC(=O)O1)C

InChI

InChI=1S/C17H20N2O5S2/c1-17(2)14-7-11(3-4-15(14)19-16(20)24-17)23-6-5-13(26(21)22)8-12-9-18-10-25-12/h3-4,7,9-10,13H,5-6,8H2,1-2H3,(H,19,20)(H,21,22)/p-1