methyl 3-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]benzoate Openeye Name: methyl 3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]benzoate CAS Name: 3-[[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]benzoate Traditional Name: 3-[[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]methyl]benzoic acid methyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=CC=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=CC=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C18H18N2O3S2/c1-10-11(2)25-17-15(10)16(21)19-14(20-17)9-24-8-12-5-4-6-13(7-12)18(22)23-3/h4-7H,8-9H2,1-3H3,(H,19,20,21)