[4-(thiophen-2-ylcarbonylamino)phenyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid [4-(2-thenoylamino)phenyl] ester Formula: C20H15N3O4S2 MolecularWeight: 425.4808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C20H15N3O4S2/c24-17(7-9-23-12-21-19-15(20(23)26)8-11-29-19)27-14-5-3-13(4-6-14)22-18(25)16-2-1-10-28-16/h1-6,8,10-12H,7,9H2,(H,22,25)