ethyl 4-[3-[(2-ethyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(2-ethyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(2-ethyl-3-keto-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27N3O6S2 MolecularWeight: 469.57488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H27N3O6S2/c1-3-16-19(25)21-15-13-14(5-6-17(15)30-16)31(27,28)12-7-18(24)22-8-10-23(11-9-22)20(26)29-4-2/h5-6,13,16H,3-4,7-12H2,1-2H3,(H,21,25)