methyl 4-[(E)-3-[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenoxy]prop-1-enyl]benzoic acid methyl ester Formula: C28H23N3O4S MolecularWeight: 497.56492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC

InChI

InChI=1S/C28H23N3O4S/c1-34-27(33)21-14-11-19(12-15-21)13-16-26(32)35-23-10-6-9-22(17-23)29-25-18-24(30-28(31-25)36-2)20-7-4-3-5-8-20/h3-18H,1-2H3,(H,29,30,31)/b16-13+