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

Systemtic Name: 3-[[5-(4-chloranyl-3-methyl-phenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(4-chloro-3-methyl-phenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(4-chloro-3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propanoate IUPAC Name: 3-[[5-(4-chloro-3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(4-chloro-3-methyl-phenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionate Formula: C16H12ClN2O3S2- MolecularWeight: 379.86108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O3S2/c1-8-6-9(2-3-11(8)17)10-7-24-15-13(10)14(22)18-16(19-15)23-5-4-12(20)21/h2-3,6-7H,4-5H2,1H3,(H,20,21)(H,18,19,22)/p-1