(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C23H17N3O3S2 MolecularWeight: 447.52938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)CCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)CCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H17N3O3S2/c27-20(11-10-19-24-16-8-4-5-9-17(16)31-19)29-12-18-25-22(28)21-15(13-30-23(21)26-18)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,25,26,28)