3-[[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propanoate IUPAC Name: 3-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(4-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionate Formula: C15H10ClN2O3S2- MolecularWeight: 365.8345

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)[O-])Cl

InChI

InChI=1S/C15H11ClN2O3S2/c16-9-3-1-8(2-4-9)10-7-23-14-12(10)13(21)17-15(18-14)22-6-5-11(19)20/h1-4,7H,5-6H2,(H,19,20)(H,17,18,21)/p-1