N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(6-keto-4-methoxy-1H-pyrimidin-2-yl)thio]acetamide Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)NC(=N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

COC1=CC(=O)NC(=N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H16N4O3S2/c1-23-14-6-12(21)19-16(20-14)24-8-13(22)18-15-10(7-17)9-4-2-3-5-11(9)25-15/h6H,2-5,8H2,1H3,(H,18,22)(H,19,20,21)