ethyl 1-[(3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-[(4-keto-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]isonipecotic acid ethyl ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(C(=O)N3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(C(=O)N3)C

InChI

InChI=1S/C18H24N2O5S2/c1-3-25-18(22)13-6-8-20(9-7-13)27(23,24)14-4-5-16-15(10-14)19-17(21)12(2)11-26-16/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,19,21)