4-[[4-[(E)-[(5R)-5-(4-dimethylaminophenyl)-6-ethoxycarbonyl-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]methyl]benzoate

Systemtic Name: 4-[[4-[(E)-[(5R)-5-(4-dimethylaminophenyl)-6-ethoxycarbonyl-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(E)-[(5R)-5-(4-dimethylaminophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-[(5R)-5-(4-dimethylaminophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(E)-[(5R)-5-(4-dimethylaminophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-[(5R)-6-carbethoxy-5-(4-dimethylaminophenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]methyl]benzoate Formula: C33H30N3O6S- MolecularWeight: 596.6728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=CC=C(C=C4)OCC5=CC=C(C=C5)C(=O)[O-])S2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N([C@@H]1C3=CC=C(C=C3)N(C)C)C(=O)/C(=C\C4=CC=C(C=C4)OCC5=CC=C(C=C5)C(=O)[O-])/S2)C

InChI

InChI=1S/C33H31N3O6S/c1-5-41-32(40)28-20(2)34-33-36(29(28)23-12-14-25(15-13-23)35(3)4)30(37)27(43-33)18-21-8-16-26(17-9-21)42-19-22-6-10-24(11-7-22)31(38)39/h6-18,29H,5,19H2,1-4H3,(H,38,39)/p-1/b27-18+/t29-/m1/s1