S-[[3-[(3-cyano-6,7-dimethoxy-quinolin-2-yl)amino]phenyl]methyl] ethanethioate

Systemtic Name: S-[[3-[(3-cyano-6,7-dimethoxy-quinolin-2-yl)amino]phenyl]methyl] ethanethioate Openeye Name: S-[[3-[(3-cyano-6,7-dimethoxy-2-quinolyl)amino]phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-[(3-cyano-6,7-dimethoxy-2-quinolinyl)amino]phenyl]methyl] ester IUPAC Name: S-[[3-[(3-cyano-6,7-dimethoxyquinolin-2-yl)amino]phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(3-cyano-6,7-dimethoxy-2-quinolyl)amino]benzyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC(=CC=C1)NC2=NC3=CC(=C(C=C3C=C2C#N)OC)OC

Isomeric SMILES

CC(=O)SCC1=CC(=CC=C1)NC2=NC3=CC(=C(C=C3C=C2C#N)OC)OC

InChI

InChI=1S/C21H19N3O3S/c1-13(25)28-12-14-5-4-6-17(7-14)23-21-16(11-22)8-15-9-19(26-2)20(27-3)10-18(15)24-21/h4-10H,12H2,1-3H3,(H,23,24)