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

Systemtic Name: 3-[5-(4-chloranyl-3-methyl-phenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[5-(4-chloro-3-methyl-phenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(4-chloro-3-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[5-(4-chloro-3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[5-(4-chloro-3-methyl-phenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C16H12ClN2O3S- MolecularWeight: 347.79608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O3S/c1-9-6-10(2-3-12(9)17)11-7-23-15-14(11)16(22)19(8-18-15)5-4-13(20)21/h2-3,6-8H,4-5H2,1H3,(H,20,21)/p-1