dimethyl 3-methyl-5-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[3-(2-pyridylsulfanyl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-(2-pyridinylthio)propyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(2-pyridylthio)propanoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=CC=CC=N2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=CC=CC=N2)C(=O)OC

InChI

InChI=1S/C17H18N2O5S2/c1-10-13(16(21)23-2)15(26-14(10)17(22)24-3)19-11(20)7-9-25-12-6-4-5-8-18-12/h4-6,8H,7,9H2,1-3H3,(H,19,20)