diethyl 2-[2-(6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]propanedioate

Systemtic Name: diethyl 2-[2-(6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]propanedioate CAS Name: 2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-1-oxoethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]propanedioate Traditional Name: 2-[[2-(6-chloro-3-keto-4H-1,4-benzothiazin-2-yl)acetyl]amino]malonic acid diethyl ester Formula: C17H19ClN2O6S MolecularWeight: 414.86056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CC1C(=O)NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CC1C(=O)NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C17H19ClN2O6S/c1-3-25-16(23)14(17(24)26-4-2)20-13(21)8-12-15(22)19-10-7-9(18)5-6-11(10)27-12/h5-7,12,14H,3-4,8H2,1-2H3,(H,19,22)(H,20,21)