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

Systemtic Name: propan-2-yl 3-[2-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 3-[[2-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid isopropyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-4-15-9-16-18(28-15)21-11-23(19(16)25)10-17(24)22-14-7-5-6-13(8-14)20(26)27-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,22,24)