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

Systemtic Name: propyl 3-[2-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(S3)CC

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(S3)CC

InChI

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