diethyl 5-azanyl-3-(pyrimidin-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-(pyrimidin-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-(pyrimidin-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(2-pyrimidinylthio)methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-(pyrimidin-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(2-pyrimidylthio)methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C15H17N3O4S2 MolecularWeight: 367.44318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC=CC=N2)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC=CC=N2)C(=O)OCC)N

InChI

InChI=1S/C15H17N3O4S2/c1-3-21-13(19)10-9(8-23-15-17-6-5-7-18-15)11(24-12(10)16)14(20)22-4-2/h5-7H,3-4,8,16H2,1-2H3