ethyl 2-(3H-1,3-benzothiazol-2-ylidene)-2-(7H-purin-6-yl)ethanoate

Systemtic Name: ethyl 2-(3H-1,3-benzothiazol-2-ylidene)-2-(7H-purin-6-yl)ethanoate Openeye Name: ethyl 2-(3H-1,3-benzothiazol-2-ylidene)-2-(7H-purin-6-yl)acetate CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(7H-purin-6-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3H-1,3-benzothiazol-2-ylidene)-2-(7H-purin-6-yl)acetate Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(7H-purin-6-yl)acetic acid ethyl ester Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1NC2=CC=CC=C2S1)C3=C4C(=NC=N3)N=CN4

Isomeric SMILES

CCOC(=O)C(=C1NC2=CC=CC=C2S1)C3=C4C(=NC=N3)N=CN4

InChI

InChI=1S/C16H13N5O2S/c1-2-23-16(22)11(12-13-14(19-7-17-12)20-8-18-13)15-21-9-5-3-4-6-10(9)24-15/h3-8,21H,2H2,1H3,(H,17,18,19,20)