3-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrol-3-yl]amino]benzoate

Systemtic Name: 3-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrol-3-yl]amino]benzoate Openeye Name: 3-[[1-benzyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-dioxo-pyrrol-3-yl]amino]benzoate CAS Name: 3-[[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-2,5-dioxo-1-(phenylmethyl)-3-pyrrolyl]amino]benzoate IUPAC Name: 3-[[1-benzyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrol-3-yl]amino]benzoate Traditional Name: 3-[[1-benzyl-4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,5-diketo-3-pyrrolin-3-yl]amino]benzoate Formula: C24H19N4O4S- MolecularWeight: 459.49706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC=CC(=C4)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC=CC(=C4)C(=O)[O-])C

InChI

InChI=1S/C24H20N4O4S/c1-14-11-15(2)26-24(25-14)33-20-19(27-18-10-6-9-17(12-18)23(31)32)21(29)28(22(20)30)13-16-7-4-3-5-8-16/h3-12,27H,13H2,1-2H3,(H,31,32)/p-1