2-(4-chloranyl-2-methyl-phenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C21H23ClN2O2S/c1-4-14-5-7-16-17(11-23)21(27-19(16)10-14)24-20(25)13(3)26-18-8-6-15(22)9-12(18)2/h6,8-9,13-14H,4-5,7,10H2,1-3H3,(H,24,25)