3-(3,3-diethoxypropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(3,3-diethoxypropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(3,3-diethoxypropyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(3,3-diethoxypropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(3,3-diethoxypropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(3,3-diethoxypropyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S)OCC

InChI

InChI=1S/C17H20N2O3S2/c1-3-21-13(22-4-2)9-10-19-16(20)15-14(18-17(19)23)11-7-5-6-8-12(11)24-15/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,23)