1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-phenylsulfanylpropanoate

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-phenylsulfanylpropanoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)CCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)CCSC3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2O3S2/c1-11-13(3)26-19-16(11)18(23)20-17(21-19)12(2)24-15(22)9-10-25-14-7-5-4-6-8-14/h4-8,12H,9-10H2,1-3H3,(H,20,21,23)