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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)OC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)OC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C21H23ClN2O2S/c1-11-5-6-16-17(10-23)21(27-18(16)7-11)24-20(25)14(4)26-15-8-12(2)19(22)13(3)9-15/h8-9,11,14H,5-7H2,1-4H3,(H,24,25)