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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-(1-adamantyl)-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-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-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-adamantyl)-2-keto-ethyl] ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCN4C(=O)CSC5=CC=CC=C54

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCN4C(=O)CSC5=CC=CC=C54

InChI

InChI=1S/C23H27NO4S/c25-20(23-10-15-7-16(11-23)9-17(8-15)12-23)13-28-22(27)5-6-24-18-3-1-2-4-19(18)29-14-21(24)26/h1-4,15-17H,5-14H2