ethyl 3-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: ethyl 3-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: ethyl 3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propionic acid ethyl ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CCOC(=O)CCSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C17H16N2O3S2/c1-2-22-13(20)8-9-23-17-18-15(21)14-12(10-24-16(14)19-17)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,19,21)