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

Systemtic Name: ethyl 2-[2-[[4-(2,3-dimethylphenyl)-5-[[(2-methoxyphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-(2,3-dimethylphenyl)-5-[[(2-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-(2,3-dimethylphenyl)-5-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-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-[[4-(2,3-dimethylphenyl)-5-[[(2-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(2,3-dimethylphenyl)-5-[(o-anisoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C32H35N5O5S2 MolecularWeight: 633.7808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC(=C4C)C)CNC(=O)C5=CC=CC=C5OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC(=C4C)C)CNC(=O)C5=CC=CC=C5OC

InChI

InChI=1S/C32H35N5O5S2/c1-5-42-31(40)28-22-13-7-9-16-25(22)44-30(28)34-27(38)18-43-32-36-35-26(37(32)23-14-10-11-19(2)20(23)3)17-33-29(39)21-12-6-8-15-24(21)41-4/h6,8,10-12,14-15H,5,7,9,13,16-18H2,1-4H3,(H,33,39)(H,34,38)