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

Systemtic Name: dimethyl 3-methyl-5-[2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[[4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H17N5O5S2 MolecularWeight: 447.48808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=CN2C3=CC=CC=N3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=CN2C3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C18H17N5O5S2/c1-10-13(16(25)27-2)15(30-14(10)17(26)28-3)21-12(24)8-29-18-22-20-9-23(18)11-6-4-5-7-19-11/h4-7,9H,8H2,1-3H3,(H,21,24)