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

Systemtic Name: propyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 2-[3-anilino-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 2-[3-anilino-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-2,5-dioxo-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 2-[3-anilino-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 2-[3-anilino-4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,5-diketo-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=NC(=CC(=N3)C)C)NC4=CC=CC=C4

Isomeric SMILES

CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=NC(=CC(=N3)C)C)NC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O4S/c1-4-14-34-25(33)19-12-8-9-13-20(19)30-23(31)21(29-18-10-6-5-7-11-18)22(24(30)32)35-26-27-16(2)15-17(3)28-26/h5-13,15,29H,4,14H2,1-3H3