ethyl 4-[2-[[4,6-bis(oxidanylidene)-5-phenyl-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[4,6-bis(oxidanylidene)-5-phenyl-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4,6-diketo-5-phenyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(C(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(C(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O5S/c1-2-29-20(28)14-8-10-15(11-9-14)22-16(25)12-30-21-23-18(26)17(19(27)24-21)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,22,25)(H,23,24,26,27)