[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c25-20(23-13-6-9-17-7-2-1-3-8-17)15-28-22(27)12-14-24-18-10-4-5-11-19(18)29-16-21(24)26/h1-5,7-8,10-11H,6,9,12-16H2,(H,23,25)