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

Systemtic Name: ethyl 4-[2-[[6-oxidanylidene-5-(phenylsulfonyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-besyl-6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H19N3O6S2 MolecularWeight: 473.52206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6S2/c1-2-30-20(27)14-8-10-15(11-9-14)23-18(25)13-31-21-22-12-17(19(26)24-21)32(28,29)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,23,25)(H,22,24,26)