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

Systemtic Name: ethyl 2-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(2-chloro-5-methylsulfanyl-benzoyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-chloro-5-methylsulfanylbenzoyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[2-chloro-5-(methylthio)benzoyl]oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H24ClNO5S2 MolecularWeight: 482.01266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO5S2/c1-4-28-22(27)18-14-7-5-6-8-17(14)31-20(18)24-19(25)12(2)29-21(26)15-11-13(30-3)9-10-16(15)23/h9-12H,4-8H2,1-3H3,(H,24,25)