diethyl 5-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H21N5O5S2 MolecularWeight: 427.49844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=NN=C2SC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=NN=C2SC)N

InChI

InChI=1S/C16H21N5O5S2/c1-5-25-13(23)10-8(3)11(14(24)26-6-2)28-12(10)18-9(22)7-21-15(17)19-20-16(21)27-4/h5-7H2,1-4H3,(H2,17,19)(H,18,22)