dimethyl 2-methylthiepino[4,5-c]pyrrole-5,7-dicarboxylate

Systemtic Name: dimethyl 2-methylthiepino[4,5-c]pyrrole-5,7-dicarboxylate Openeye Name: dimethyl 2-methylthiepino[4,5-c]pyrrole-5,7-dicarboxylate CAS Name: 2-methylthiepino[4,5-c]pyrrole-5,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-methylthiepino[4,5-c]pyrrole-5,7-dicarboxylate Traditional Name: 2-methylthiepino[4,5-c]pyrrole-5,7-dicarboxylic acid dimethyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C=C(SC(=CC2=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C=C2C=C(SC(=CC2=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H13NO4S/c1-14-6-8-4-10(12(15)17-2)19-11(13(16)18-3)5-9(8)7-14/h4-7H,1-3H3