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

Systemtic Name: ethyl 2-[2-[[5-[[(3-methoxyphenyl)carbonylamino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-benzyl-5-[[(3-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[5-[[[(3-methoxyphenyl)-oxomethyl]amino]methyl]-4-(phenylmethyl)-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-benzyl-5-[[(3-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-benzyl-5-[(m-anisoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C31H33N5O5S2 MolecularWeight: 619.75422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C31H33N5O5S2/c1-3-41-30(39)27-23-14-7-8-15-24(23)43-29(27)33-26(37)19-42-31-35-34-25(36(31)18-20-10-5-4-6-11-20)17-32-28(38)21-12-9-13-22(16-21)40-2/h4-6,9-13,16H,3,7-8,14-15,17-19H2,1-2H3,(H,32,38)(H,33,37)