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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Cl)C

InChI

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