[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-[(3-chlorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N(C)CC2=CC(=CC=C2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N(C)CC2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C18H20ClN3O3S/c1-12-7-13(2)21-18(20-12)26-11-17(24)25-10-16(23)22(3)9-14-5-4-6-15(19)8-14/h4-8H,9-11H2,1-3H3