3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-keto-ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C17H15N3O2S2 MolecularWeight: 357.4499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C17H15N3O2S2/c21-15(10-19-11-18-16-12(17(19)22)6-9-24-16)20-7-3-8-23-14-5-2-1-4-13(14)20/h1-2,4-6,9,11H,3,7-8,10H2