ethyl 2-[2-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(5-keto-6-methyl-2H-1,2,4-triazin-3-yl)thio]propanoylamino]-4-phenyl-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=C1C2=CC=CC=C2)NC(=O)C(C)SC3=NC(=O)C(=NN3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=NC(=O)C(=NN3)C

InChI

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