S-[[3-[(3-cyano-6,7-dimethoxy-quinolin-4-yl)amino]phenyl]methyl] ethanethioate

Systemtic Name: S-[[3-[(3-cyano-6,7-dimethoxy-quinolin-4-yl)amino]phenyl]methyl] ethanethioate Openeye Name: S-[[3-[(3-cyano-6,7-dimethoxy-4-quinolyl)amino]phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-[(3-cyano-6,7-dimethoxy-4-quinolinyl)amino]phenyl]methyl] ester IUPAC Name: S-[[3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(3-cyano-6,7-dimethoxy-4-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=C(C=NC3=CC(=C(C=C32)OC)OC)C#N

Isomeric SMILES

CC(=O)SCC1=CC(=CC=C1)NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C#N

InChI

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