diethyl 5-[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)CCC3=CC=CC=C3

InChI

InChI=1S/C25H30N4O5S2/c1-5-29-18(14-13-17-11-9-8-10-12-17)27-28-25(29)35-15-19(30)26-22-20(23(31)33-6-2)16(4)21(36-22)24(32)34-7-3/h8-12H,5-7,13-15H2,1-4H3,(H,26,30)