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

Systemtic Name: 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C22H27ClN2O3S/c1-3-14-6-8-16-18(12-14)29-22(20(16)21(24)27)25-19(26)5-4-10-28-17-9-7-15(23)11-13(17)2/h7,9,11,14H,3-6,8,10,12H2,1-2H3,(H2,24,27)(H,25,26)