2-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S/c1-4-13-5-7-15-17(10-13)28-21(18(15)19(23)25)24-20(26)12(3)27-16-8-6-14(22)9-11(16)2/h6,8-9,12-13H,4-5,7,10H2,1-3H3,(H2,23,25)(H,24,26)