ethyl 2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-oxidanylidene-7-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-oxidanylidene-7-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-3-oxo-7-phenyl-5-(2-thienyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-oxo-7-phenyl-5-thiophen-2-yl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-oxo-7-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 3-keto-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-7-phenyl-5-(2-thienyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H19N3O7S2 MolecularWeight: 561.58566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5)S2)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5)S2)C6=CC=CC=C6

InChI

InChI=1S/C27H19N3O7S2/c1-2-35-26(32)22-23(15-7-4-3-5-8-15)28-27-29(24(22)20-9-6-10-38-20)25(31)21(39-27)12-16-11-18-19(37-14-36-18)13-17(16)30(33)34/h3-13,24H,2,14H2,1H3