ethyl 2-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-chloro-5-methylsulfanyl-benzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-chloro-5-methylsulfanylbenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[2-chloro-5-(methylthio)benzoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H22ClNO5S2 MolecularWeight: 467.98608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C21H22ClNO5S2/c1-3-27-21(26)18-13-6-4-5-7-16(13)30-19(18)23-17(24)11-28-20(25)14-10-12(29-2)8-9-15(14)22/h8-10H,3-7,11H2,1-2H3,(H,23,24)