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

Systemtic Name: (3-methylphenyl)methyl 2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: m-tolylmethyl 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-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)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-methylbenzyl) ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)CSC2=NC(=C(C(=C2C(=O)N)C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)CSC2=NC(=C(C(=C2C(=O)N)C)C)C

InChI

InChI=1S/C19H22N2O3S/c1-11-6-5-7-15(8-11)9-24-16(22)10-25-19-17(18(20)23)13(3)12(2)14(4)21-19/h5-8H,9-10H2,1-4H3,(H2,20,23)