6-[2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]hexanoate

Systemtic Name: 6-[2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]hexanoate Openeye Name: 6-[2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]hexanoate CAS Name: 6-[2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]hexanoate IUPAC Name: 6-[2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]hexanoate Traditional Name: 6-[2-[(5-chlorobenzothiophen-3-yl)methylthio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]hexanoate Formula: C21H18ClN2O3S3- MolecularWeight: 478.02722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=CS2)CSC3=NC4=C(C(=O)N3CCCCCC(=O)[O-])SC=C4

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=CS2)CSC3=NC4=C(C(=O)N3CCCCCC(=O)[O-])SC=C4

InChI

InChI=1S/C21H19ClN2O3S3/c22-14-5-6-17-15(10-14)13(11-29-17)12-30-21-23-16-7-9-28-19(16)20(27)24(21)8-3-1-2-4-18(25)26/h5-7,9-11H,1-4,8,12H2,(H,25,26)/p-1