(3-chlorophenyl)methyl 2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (3-chlorophenyl)methyl 2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: (3-chlorophenyl)methyl 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 (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 2-(3-carbamoyl-4,5,6-trimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridyl)thio]acetic acid (3-chlorobenzyl) ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OCC2=CC(=CC=C2)Cl)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OCC2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C18H19ClN2O3S/c1-10-11(2)16(17(20)23)18(21-12(10)3)25-9-15(22)24-8-13-5-4-6-14(19)7-13/h4-7H,8-9H2,1-3H3,(H2,20,23)