diethyl 5-[2-[[4-butyl-5-[(thiophen-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[[4-butyl-5-[(thiophen-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-[[4-butyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[4-butyl-5-[[[oxo(thiophen-2-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[[4-butyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-[[4-butyl-5-[(2-thenoylamino)methyl]-1,2,4-triazol-3-yl]thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H33N5O6S3 MolecularWeight: 607.76512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)CNC(=O)C3=CC=CS3

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C26H33N5O6S3/c1-6-9-12-31-18(14-27-22(33)17-11-10-13-38-17)29-30-26(31)39-16(5)21(32)28-23-19(24(34)36-7-2)15(4)20(40-23)25(35)37-8-3/h10-11,13,16H,6-9,12,14H2,1-5H3,(H,27,33)(H,28,32)