[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] adamantane-2-carboxylate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] adamantane-2-carboxylate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C19H22N2O3S/c1-10-9-25-18(21-10)15(7-20)16(22)8-24-19(23)17-13-3-11-2-12(5-13)6-14(17)4-11/h9,11-15,17H,2-6,8H2,1H3/t11?,12?,13?,14?,15-,17?/m1/s1