N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4-diethoxy-benzamide

Systemtic Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4-diethoxy-benzamide Openeye Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,4-diethoxy-benzamide CAS Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4-diethoxybenzamide IUPAC Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4-diethoxybenzamide Traditional Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,4-diethoxy-benzamide Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N)OCC

InChI

InChI=1S/C26H26N2O3S/c1-3-30-19-11-13-21(23(15-19)31-4-2)25(29)28-26-22(16-27)20-12-10-18(14-24(20)32-26)17-8-6-5-7-9-17/h5-9,11,13,15,18H,3-4,10,12,14H2,1-2H3,(H,28,29)