methyl 4-butanoyloxy-1,1-bis(oxidanylidene)-2-propan-2-yl-1$l^{6},2-benzothiazine-3-carboxylate

Systemtic Name: methyl 4-butanoyloxy-1,1-bis(oxidanylidene)-2-propan-2-yl-1$l^{6},2-benzothiazine-3-carboxylate Openeye Name: methyl 4-butanoyloxy-2-isopropyl-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxylate CAS Name: 1,1-dioxo-4-(1-oxobutoxy)-2-propan-2-yl-1$l^{6},2-benzothiazine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-butanoyloxy-1,1-dioxo-2-propan-2-yl-1$l^{6},2-benzothiazine-3-carboxylate Traditional Name: 4-butyryloxy-2-isopropyl-1,1-diketo-1$l^{6},2-benzothiazine-3-carboxylic acid methyl ester Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)C(C)C)C(=O)OC

Isomeric SMILES

CCCC(=O)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)C(C)C)C(=O)OC

InChI

InChI=1S/C17H21NO6S/c1-5-8-14(19)24-16-12-9-6-7-10-13(12)25(21,22)18(11(2)3)15(16)17(20)23-4/h6-7,9-11H,5,8H2,1-4H3