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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CCN1C(=O)CSC2=CC=CC=C21)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CCN1C(=O)CSC2=CC=CC=C21)C3(CCCCC3)C#N

InChI

InChI=1S/C21H25N3O4S/c1-23(21(15-22)10-5-2-6-11-21)18(25)13-28-20(27)9-12-24-16-7-3-4-8-17(16)29-14-19(24)26/h3-4,7-8H,2,5-6,9-14H2,1H3