[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzothiazin-2-yl)acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CC1C(=O)NC2=CC=CC=C2S1)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CC1C(=O)NC2=CC=CC=C2S1)C3(CCCCC3)C#N

InChI

InChI=1S/C20H23N3O4S/c1-23(20(13-21)9-5-2-6-10-20)17(24)12-27-18(25)11-16-19(26)22-14-7-3-4-8-15(14)28-16/h3-4,7-8,16H,2,5-6,9-12H2,1H3,(H,22,26)