ethyl 5-ethanoyl-4-methyl-2-[2-[6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-[6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-[6-methyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyrimidin-4-yl]sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-[[6-methyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-pyrimidinyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-[6-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[[2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-methyl-pyrimidin-4-yl]thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H27N3O5S3 MolecularWeight: 557.70468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC(=NC(=C2)C)SCC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC(=NC(=C2)C)SCC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H27N3O5S3/c1-6-34-25(33)22-16(4)23(17(5)30)37-24(22)28-20(32)13-35-21-11-15(3)27-26(29-21)36-12-19(31)18-9-7-14(2)8-10-18/h7-11H,6,12-13H2,1-5H3,(H,28,32)