2-[(E)-[(5R)-5-(3,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-6-nitro-phenolate

Systemtic Name: 2-[(E)-[(5R)-5-(3,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-6-nitro-phenolate Openeye Name: 2-[(E)-[(5R)-5-(3,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-6-nitro-phenolate CAS Name: 2-[(E)-[(5R)-5-(3,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-6-nitrophenolate IUPAC Name: 2-[(E)-[(5R)-5-(3,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-6-nitrophenolate Traditional Name: 2-[(E)-[(5R)-6-carbethoxy-5-(3,4-dimethoxyphenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-6-nitro-phenolate Formula: C25H22N3O8S- MolecularWeight: 524.52248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O8S/c1-5-36-24(31)20-13(2)26-25-27(21(20)14-9-10-17(34-3)18(11-14)35-4)23(30)19(37-25)12-15-7-6-8-16(22(15)29)28(32)33/h6-12,21,29H,5H2,1-4H3/p-1/b19-12+/t21-/m1/s1