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

Systemtic Name: ethyl 2-[2-[4-[[2,4,6-tris(chloranyl)phenyl]carbamoyl]phenoxy]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-[oxo-(2,4,6-trichloroanilino)methyl]phenoxy]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H23Cl3N2O5S MolecularWeight: 581.89522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4Cl)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4Cl)Cl)Cl

InChI

InChI=1S/C26H23Cl3N2O5S/c1-2-35-26(34)22-17-5-3-4-6-20(17)37-25(22)30-21(32)13-36-16-9-7-14(8-10-16)24(33)31-23-18(28)11-15(27)12-19(23)29/h7-12H,2-6,13H2,1H3,(H,30,32)(H,31,33)