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

Systemtic Name: ethyl 2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C21H24ClNO4S/c1-4-26-21(25)19-15-7-5-12(2)9-17(15)28-20(19)23-18(24)11-27-16-8-6-14(22)10-13(16)3/h6,8,10,12H,4-5,7,9,11H2,1-3H3,(H,23,24)