methyl (2R)-2-[5-ethyl-6-methyl-3-(3-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoate

Systemtic Name: methyl (2R)-2-[5-ethyl-6-methyl-3-(3-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-[5-ethyl-6-methyl-3-(m-tolyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoate CAS Name: (2R)-2-[[5-ethyl-6-methyl-3-(3-methylphenyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[5-ethyl-6-methyl-3-(3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[5-ethyl-4-keto-6-methyl-3-(m-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid methyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)OC)C3=CC=CC(=C3)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)S[C@H](C)C(=O)OC)C3=CC=CC(=C3)C)C

InChI

InChI=1S/C20H22N2O3S2/c1-6-15-12(3)26-17-16(15)18(23)22(14-9-7-8-11(2)10-14)20(21-17)27-13(4)19(24)25-5/h7-10,13H,6H2,1-5H3/t13-/m1/s1