5-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]pentanoate

Systemtic Name: 5-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]pentanoate Openeye Name: 5-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]pentanoate CAS Name: 5-[2-[(2-chlorophenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]pentanoate IUPAC Name: 5-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]pentanoate Traditional Name: 5-[2-[(2-chlorobenzyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]valerate Formula: C18H16ClN2O3S2- MolecularWeight: 407.91424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CCCCC(=O)[O-])SC=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CCCCC(=O)[O-])SC=C3)Cl

InChI

InChI=1S/C18H17ClN2O3S2/c19-13-6-2-1-5-12(13)11-26-18-20-14-8-10-25-16(14)17(24)21(18)9-4-3-7-15(22)23/h1-2,5-6,8,10H,3-4,7,9,11H2,(H,22,23)/p-1