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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid 2-phthalimidoethyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N2O5S/c24-18-13-29-17-8-4-3-7-16(17)22(18)10-9-19(25)28-12-11-23-20(26)14-5-1-2-6-15(14)21(23)27/h1-8H,9-13H2