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

Systemtic Name: ethyl 2-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(2-chloro-5-methylsulfanyl-benzoyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-chloro-5-methylsulfanylbenzoyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[2-chloro-5-(methylthio)benzoyl]oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H26ClNO5S2 MolecularWeight: 496.03924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C23H26ClNO5S2/c1-5-29-23(28)19-15-8-6-12(2)10-18(15)32-21(19)25-20(26)13(3)30-22(27)16-11-14(31-4)7-9-17(16)24/h7,9,11-13H,5-6,8,10H2,1-4H3,(H,25,26)