dimethyl 5-[3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(4-amino-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(4-amino-1,2,4-triazol-3-yl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C14H17N5O5S2 MolecularWeight: 399.44528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NN=CN2N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NN=CN2N)C(=O)OC

InChI

InChI=1S/C14H17N5O5S2/c1-7-9(12(21)23-2)11(26-10(7)13(22)24-3)17-8(20)4-5-25-14-18-16-6-19(14)15/h6H,4-5,15H2,1-3H3,(H,17,20)