propan-2-yl 4-[2-(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-3-thieno[3,2-d]pyrimidinyl)ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-ketothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoic acid isopropyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)SC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)SC=C3

InChI

InChI=1S/C18H17N3O4S/c1-11(2)25-18(24)12-3-5-13(6-4-12)20-15(22)9-21-10-19-14-7-8-26-16(14)17(21)23/h3-8,10-11H,9H2,1-2H3,(H,20,22)