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

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)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 [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 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-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OC(C)C(=O)NCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OC(C)C(=O)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C22H27N3O4S/c1-13-14(2)19(20(23)27)22(25-15(13)3)30-12-18(26)29-16(4)21(28)24-11-10-17-8-6-5-7-9-17/h5-9,16H,10-12H2,1-4H3,(H2,23,27)(H,24,28)