4-[2-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H15N3O4S/c1-2-12-7-13-15(25-12)18-9-20(16(13)22)8-14(21)19-11-5-3-10(4-6-11)17(23)24/h3-7,9H,2,8H2,1H3,(H,19,21)(H,23,24)