methyl 2-[[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]benzoyl]amino]acetic acid methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC)C

InChI

InChI=1S/C18H20N4O4S/c1-11-8-12(2)21-18(20-11)27-10-15(23)22-14-6-4-13(5-7-14)17(25)19-9-16(24)26-3/h4-8H,9-10H2,1-3H3,(H,19,25)(H,22,23)