isoquinolin-6-yl 3-azanyl-1-benzothiophene-2-carboxylate

Systemtic Name: isoquinolin-6-yl 3-azanyl-1-benzothiophene-2-carboxylate Openeye Name: 6-isoquinolyl 3-aminobenzothiophene-2-carboxylate CAS Name: 3-amino-1-benzothiophene-2-carboxylic acid 6-isoquinolinyl ester IUPAC Name: isoquinolin-6-yl 3-amino-1-benzothiophene-2-carboxylate Traditional Name: 3-aminobenzothiophene-2-carboxylic acid 6-isoquinolyl ester Formula: C18H12N2O2S MolecularWeight: 320.36508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC4=C(C=C3)C=NC=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC4=C(C=C3)C=NC=C4)N

InChI

InChI=1S/C18H12N2O2S/c19-16-14-3-1-2-4-15(14)23-17(16)18(21)22-13-6-5-12-10-20-8-7-11(12)9-13/h1-10H,19H2