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

Systemtic Name: ethyl 3-[(2,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CN2C(=NC3=C(C2=O)C(=C(S3)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CN2C(=NC3=C(C2=O)C(=C(S3)C)C)C

InChI

InChI=1S/C19H20N2O3S/c1-5-24-19(23)15-8-6-7-14(9-15)10-21-13(4)20-17-16(18(21)22)11(2)12(3)25-17/h6-9H,5,10H2,1-4H3