[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-methylsulfinylbenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-methylsulfinylbenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-methylsulfinylbenzoate CAS Name: 4-methylsulfinylbenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-methylsulfinylbenzoate Traditional Name: 4-methylsulfinylbenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H25NO4S/c1-26(24)17-4-2-16(3-5-17)19(23)25-12-18(22)21-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15H,6-12H2,1H3,(H,21,22)