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

Systemtic Name: ethyl 4-[2-(6-ethoxy-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-ethoxy-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(6-ethoxy-2,5-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-ethoxy-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(6-ethoxy-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(S1)N=C(N(C2=O)CC(=O)NC3=CC=C(C=C3)C(=O)OCC)C)C

Isomeric SMILES

CCOC1=C(C2=C(S1)N=C(N(C2=O)CC(=O)NC3=CC=C(C=C3)C(=O)OCC)C)C

InChI

InChI=1S/C21H23N3O5S/c1-5-28-20(27)14-7-9-15(10-8-14)23-16(25)11-24-13(4)22-18-17(19(24)26)12(3)21(30-18)29-6-2/h7-10H,5-6,11H2,1-4H3,(H,23,25)