dimethyl 3-azanyl-1-benzothiophene-2,5-dicarboxylate

Systemtic Name: dimethyl 3-azanyl-1-benzothiophene-2,5-dicarboxylate Openeye Name: dimethyl 3-aminobenzothiophene-2,5-dicarboxylate CAS Name: 3-amino-1-benzothiophene-2,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-amino-1-benzothiophene-2,5-dicarboxylate Traditional Name: 3-aminobenzothiophene-2,5-dicarboxylic acid dimethyl ester Formula: C12H11NO4S MolecularWeight: 265.28504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC(=C2N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC(=C2N)C(=O)OC

InChI

InChI=1S/C12H11NO4S/c1-16-11(14)6-3-4-8-7(5-6)9(13)10(18-8)12(15)17-2/h3-5H,13H2,1-2H3