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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-triethoxy-benzamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,4,5-triethoxy-benzamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-triethoxybenzamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-triethoxybenzamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,4,5-triethoxy-benzamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

InChI

InChI=1S/C23H28N2O4S/c1-5-27-18-11-15(12-19(28-6-2)21(18)29-7-3)22(26)25-23-17(13-24)16-9-8-14(4)10-20(16)30-23/h11-12,14H,5-10H2,1-4H3,(H,25,26)