[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridinyl)thio]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(3-carbamoyl-4,5,6-trimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridyl)thio]acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H30N2O4S/c1-12-13(2)20(21(24)28)22(25-14(12)3)30-11-19(27)29-10-18(26)23-7-15-4-16(8-23)6-17(5-15)9-23/h15-17H,4-11H2,1-3H3,(H2,24,28)