[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CC4C(=O)NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C[C@@H]4C(=O)NC5=CC=CC=C5S4

InChI

InChI=1S/C22H26N2O4S/c25-19(24-22-9-13-5-14(10-22)7-15(6-13)11-22)12-28-20(26)8-18-21(27)23-16-3-1-2-4-17(16)29-18/h1-4,13-15,18H,5-12H2,(H,23,27)(H,24,25)/t13?,14?,15?,18-,22?/m1/s1