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

Systemtic Name: ethyl 2-[2-[[4-methyl-5-[[(3-methylphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[[4-methyl-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-methyl-5-[[[(3-methylphenyl)-oxomethyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[[4-methyl-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[[4-methyl-5-[(m-toluoylamino)methyl]-1,2,4-triazol-3-yl]thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H31N5O4S2 MolecularWeight: 541.68544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NN=C(N3C)CNC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NN=C(N3C)CNC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H31N5O4S2/c1-5-35-25(34)21-18-11-6-7-12-19(18)37-24(21)28-22(32)16(3)36-26-30-29-20(31(26)4)14-27-23(33)17-10-8-9-15(2)13-17/h8-10,13,16H,5-7,11-12,14H2,1-4H3,(H,27,33)(H,28,32)