N-(3-cyanothiophen-2-yl)-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-cyano-2-thienyl)acetamide Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C18H15N3O2S/c1-12(22)21-8-6-13-4-2-3-5-15(13)16(21)10-17(23)20-18-14(11-19)7-9-24-18/h2-9,16H,10H2,1H3,(H,20,23)/t16-/m1/s1