ethyl 1-[(4-cyclopropylcarbonyl-2-methyl-2,3-dihydro-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-cyclopropylcarbonyl-2-methyl-2,3-dihydro-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydro-1,4-benzothiazin-6-yl]sulfonyl]piperidine-4-carboxylate CAS Name: 1-[[4-[cyclopropyl(oxo)methyl]-2-methyl-2,3-dihydro-1,4-benzothiazin-6-yl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydro-1,4-benzothiazin-6-yl]sulfonyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydro-1,4-benzothiazin-6-yl]sulfonyl]isonipecotic acid ethyl ester Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC(CN3C(=O)C4CC4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC(CN3C(=O)C4CC4)C

InChI

InChI=1S/C21H28N2O5S2/c1-3-28-21(25)16-8-10-22(11-9-16)30(26,27)17-6-7-19-18(12-17)23(13-14(2)29-19)20(24)15-4-5-15/h6-7,12,14-16H,3-5,8-11,13H2,1-2H3