ethyl 2-[2-[[4-(3-methylphenyl)-5-[[(3-methylphenyl)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-(3-methylphenyl)-5-[[(3-methylphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-[[(3-methylbenzoyl)amino]methyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-(3-methylphenyl)-5-[[[(3-methylphenyl)-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-[[5-[[(3-methylbenzoyl)amino]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[5-[(m-toluoylamino)methyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C31H33N5O4S2 MolecularWeight: 603.75482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC(=C4)C)CNC(=O)C5=CC(=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC(=C4)C)CNC(=O)C5=CC(=CC=C5)C

InChI

InChI=1S/C31H33N5O4S2/c1-4-40-30(39)27-23-13-5-6-14-24(23)42-29(27)33-26(37)18-41-31-35-34-25(36(31)22-12-8-10-20(3)16-22)17-32-28(38)21-11-7-9-19(2)15-21/h7-12,15-16H,4-6,13-14,17-18H2,1-3H3,(H,32,38)(H,33,37)