(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H15N3O3S3 MolecularWeight: 417.525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H15N3O3S3/c22-15(24-10-14-19-12-7-9-25-16(12)17(23)21-14)6-3-8-26-18-20-11-4-1-2-5-13(11)27-18/h1-2,4-5,7,9H,3,6,8,10H2,(H,19,21,23)