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

Systemtic Name: ethyl 4-[2-(4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoic acid ethyl ester Formula: C21H17N3O4S2 MolecularWeight: 439.50738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

InChI

InChI=1S/C21H17N3O4S2/c1-2-28-21(27)13-5-7-14(8-6-13)23-17(25)10-24-12-22-19-18(20(24)26)15(11-30-19)16-4-3-9-29-16/h3-9,11-12H,2,10H2,1H3,(H,23,25)