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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

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