ethyl 2-[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[4-(4-bromophenyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[4-(4-bromophenyl)pyrimidin-2-yl]thio]acetyl]amino]acetic acid ethyl ester Formula: C16H16BrN3O3S MolecularWeight: 410.28554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NC=CC(=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NC=CC(=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H16BrN3O3S/c1-2-23-15(22)9-19-14(21)10-24-16-18-8-7-13(20-16)11-3-5-12(17)6-4-11/h3-8H,2,9-10H2,1H3,(H,19,21)