diethyl 5-[2-[[5-[[(2-methoxyphenyl)carbonylamino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[[5-[[(2-methoxyphenyl)carbonylamino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[[4-benzyl-5-[[(2-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[5-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[[4-benzyl-5-[[(2-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[[4-benzyl-5-[(o-anisoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C31H33N5O7S2 MolecularWeight: 651.75302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C31H33N5O7S2/c1-5-42-29(39)25-19(3)26(30(40)43-6-2)45-28(25)33-24(37)18-44-31-35-34-23(36(31)17-20-12-8-7-9-13-20)16-32-27(38)21-14-10-11-15-22(21)41-4/h7-15H,5-6,16-18H2,1-4H3,(H,32,38)(H,33,37)