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

Systemtic Name: 4-[2-(2,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: 4-[[2-(2,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(2,5,6-trimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]benzoate IUPAC Name: 4-[[2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-keto-2,5,6-trimethyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C)CC(=O)NC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C)CC(=O)NC3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C18H17N3O4S/c1-9-10(2)26-16-15(9)17(23)21(11(3)19-16)8-14(22)20-13-6-4-12(5-7-13)18(24)25/h4-7H,8H2,1-3H3,(H,20,22)(H,24,25)/p-1