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

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [2-(cyclohexylamino)-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-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-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-(cyclohexylamino)-2-keto-ethyl] ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OCC(=O)NC2CCCCC2)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OCC(=O)NC2CCCCC2)C

InChI

InChI=1S/C19H27N3O4S/c1-11-12(2)17(18(20)25)19(21-13(11)3)27-10-16(24)26-9-15(23)22-14-7-5-4-6-8-14/h14H,4-10H2,1-3H3,(H2,20,25)(H,22,23)