ethyl 2-[2-[[5-[[(4-methoxyphenyl)carbonylamino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[5-[[(4-methoxyphenyl)carbonylamino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[5-[[[(4-methoxyphenyl)-oxomethyl]amino]methyl]-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[5-[(p-anisoylamino)methyl]-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H27N5O5S2 MolecularWeight: 529.63168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NNC(=N3)CNC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NNC(=N3)CNC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H27N5O5S2/c1-3-34-23(32)20-16-6-4-5-7-17(16)36-22(20)27-19(30)13-35-24-26-18(28-29-24)12-25-21(31)14-8-10-15(33-2)11-9-14/h8-11H,3-7,12-13H2,1-2H3,(H,25,31)(H,27,30)(H,26,28,29)