N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)propionamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C21H24N2O4S/c1-25-16-10-13(11-17(26-2)20(16)27-3)8-9-19(24)23-21-15(12-22)14-6-4-5-7-18(14)28-21/h10-11H,4-9H2,1-3H3,(H,23,24)