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

Systemtic Name: 3-[(6-ethyl-2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: 3-[(6-ethyl-2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 3-[(6-ethyl-2-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzoate IUPAC Name: 3-[(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 3-[(6-ethyl-4-keto-2-methyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CC(=C3)C(=O)[O-])C

InChI

InChI=1S/C17H16N2O3S/c1-3-13-8-14-15(23-13)18-10(2)19(16(14)20)9-11-5-4-6-12(7-11)17(21)22/h4-8H,3,9H2,1-2H3,(H,21,22)/p-1