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

Systemtic Name: methyl 3-[(2,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: methyl 3-[(2,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 3-[(2,5,6-trimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 3-[(4-keto-2,5,6-trimethyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C)CC3=CC=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C)CC3=CC=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C18H18N2O3S/c1-10-11(2)24-16-15(10)17(21)20(12(3)19-16)9-13-6-5-7-14(8-13)18(22)23-4/h5-8H,9H2,1-4H3