ethyl 5-ethanoyl-4-methyl-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4S2/c1-4-28-19(27)15-11(2)16(12(3)25)30-18(15)21-14(26)10-29-20-22-17(23-24-20)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,21,26)(H,22,23,24)