(4S)-2-pyridin-2-yl-4-(thiophen-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-pyridin-2-yl-4-(thiophen-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2-pyridyl)-4-(2-thienylmethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2-pyridinyl)-4-(thiophen-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-pyridin-2-yl-4-(thiophen-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2-pyridyl)-4-(2-thenyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C20H15N3O2S MolecularWeight: 361.417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N(C2=O)C3=CC=CC=N3)C=NCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](C(=O)N(C2=O)C3=CC=CC=N3)C=NCC4=CC=CS4

InChI

InChI=1S/C20H15N3O2S/c24-19-16-8-2-1-7-15(16)17(13-21-12-14-6-5-11-26-14)20(25)23(19)18-9-3-4-10-22-18/h1-11,13,17H,12H2/t17-/m1/s1