methyl 4-[(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(3,5,6-trimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]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)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OC)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OC)C)C

InChI

InChI=1S/C18H18N2O3S2/c1-10-11(2)25-15-14(10)16(21)20(3)18(19-15)24-9-12-5-7-13(8-6-12)17(22)23-4/h5-8H,9H2,1-4H3