ethyl 2-[2-[[5-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[5-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-(4-chloro-1-methyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[5-(4-chloro-1-methyl-3-pyrazolyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[5-(4-chloro-1-methyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H28ClFN6O3S2 MolecularWeight: 603.131023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=NN(C=C5Cl)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=NN(C=C5Cl)C

InChI

InChI=1S/C27H28ClFN6O3S2/c1-4-15-6-11-18-20(12-15)40-25(22(18)26(37)38-5-2)30-21(36)14-39-27-32-31-24(23-19(28)13-34(3)33-23)35(27)17-9-7-16(29)8-10-17/h7-10,13,15H,4-6,11-12,14H2,1-3H3,(H,30,36)