2-pyridin-2-yl-4-[[(1R)-1-thiophen-2-ylethyl]iminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-pyridin-2-yl-4-[[(1R)-1-thiophen-2-ylethyl]iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(2-pyridyl)-4-[[(1R)-1-(2-thienyl)ethyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(2-pyridinyl)-4-[[(1R)-1-thiophen-2-ylethyl]iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-pyridin-2-yl-4-[[(1R)-1-thiophen-2-ylethyl]iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(2-pyridyl)-4-[[(1R)-1-(2-thienyl)ethyl]iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C[C@H](C1=CC=CS1)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H17N3O2S/c1-14(18-9-6-12-27-18)23-13-17-15-7-2-3-8-16(15)20(25)24(21(17)26)19-10-4-5-11-22-19/h2-14,17H,1H3/t14-,17?/m1/s1