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

Systemtic Name: ethyl 2-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26ClNO4S MolecularWeight: 435.96414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C22H26ClNO4S/c1-5-27-22(26)19-18-12(2)7-6-8-17(18)29-21(19)24-20(25)14(4)28-16-10-9-15(23)11-13(16)3/h9-12,14H,5-8H2,1-4H3,(H,24,25)