[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)N

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)N

InChI

InChI=1S/C17H23N3O3S/c1-9-14(15(18)24-20-9)16(22)23-8-13(21)19-17-5-10-2-11(6-17)4-12(3-10)7-17/h10-12H,2-8,18H2,1H3,(H,19,21)